# generated using pymatgen
data_LiZr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.07180000
_cell_length_b   8.85560000
_cell_length_c   9.12340000
_cell_angle_alpha   89.66100000
_cell_angle_beta   123.91200000
_cell_angle_gamma   90.42900000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2(PO4)3
_chemical_formula_sum   'Li4 Zr8 P12 O48'
_cell_volume   1010.53203968
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Li+  1.0
  Zr4+  4.0
  P5+  5.0
  O2-  -2.0
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li+  Li0  1  0.27420000  0.97840000  0.58850000  1
  Li+  Li1  1  0.72580000  0.02160000  0.41150000  1
  Li+  Li2  1  0.77420000  0.47840000  0.58850000  1
  Li+  Li3  1  0.22580000  0.52160000  0.41150000  1
  Zr4+  Zr4  1  0.60780000  0.75250000  0.57440000  1
  Zr4+  Zr5  1  0.39220000  0.24750000  0.42560000  1
  Zr4+  Zr6  1  0.10780000  0.25250000  0.57440000  1
  Zr4+  Zr7  1  0.89220000  0.74750000  0.42560000  1
  Zr4+  Zr8  1  0.39210000  0.74850000  0.93900000  1
  Zr4+  Zr9  1  0.60790000  0.25150000  0.06100000  1
  Zr4+  Zr10  1  0.89210000  0.24850000  0.93900000  1
  Zr4+  Zr11  1  0.10790000  0.75150000  0.06100000  1
  P5+  P12  1  0.85310000  0.89340000  0.73550000  1
  P5+  P13  1  0.14690000  0.10660000  0.26450000  1
  P5+  P14  1  0.35310000  0.39340000  0.73550000  1
  P5+  P15  1  0.64690000  0.60660000  0.26450000  1
  P5+  P16  1  0.14400000  0.89160000  0.75110000  1
  P5+  P17  1  0.85600000  0.10840000  0.24890000  1
  P5+  P18  1  0.64400000  0.39160000  0.75110000  1
  P5+  P19  1  0.35600000  0.60840000  0.24890000  1
  P5+  P20  1  0.99260000  0.47690000  0.74460000  1
  P5+  P21  1  0.00740000  0.52310000  0.25540000  1
  P5+  P22  1  0.49260000  0.97690000  0.74460000  1
  P5+  P23  1  0.50740000  0.02310000  0.25540000  1
  O2-  O24  1  0.45430000  0.69220000  0.38710000  1
  O2-  O25  1  0.54570000  0.30780000  0.61290000  1
  O2-  O26  1  0.95430000  0.19220000  0.38710000  1
  O2-  O27  1  0.04570000  0.80780000  0.61290000  1
  O2-  O28  1  0.65890000  0.60950000  0.43750000  1
  O2-  O29  1  0.34110000  0.39050000  0.56250000  1
  O2-  O30  1  0.15890000  0.10950000  0.43750000  1
  O2-  O31  1  0.84110000  0.89050000  0.56250000  1
  O2-  O32  1  0.59450000  0.92920000  0.40390000  1
  O2-  O33  1  0.40550000  0.07080000  0.59610000  1
  O2-  O34  1  0.09450000  0.42920000  0.40390000  1
  O2-  O35  1  0.90550000  0.57080000  0.59610000  1
  O2-  O36  1  0.62760000  0.56730000  0.72310000  1
  O2-  O37  1  0.37240000  0.43270000  0.27690000  1
  O2-  O38  1  0.12760000  0.06730000  0.72310000  1
  O2-  O39  1  0.87240000  0.93270000  0.27690000  1
  O2-  O40  1  0.76960000  0.80620000  0.73650000  1
  O2-  O41  1  0.23040000  0.19380000  0.26350000  1
  O2-  O42  1  0.26960000  0.30620000  0.73650000  1
  O2-  O43  1  0.73040000  0.69380000  0.26350000  1
  O2-  O44  1  0.56070000  0.89290000  0.69010000  1
  O2-  O45  1  0.43930000  0.10710000  0.30990000  1
  O2-  O46  1  0.06070000  0.39290000  0.69010000  1
  O2-  O47  1  0.93930000  0.60710000  0.30990000  1
  O2-  O48  1  0.53770000  0.65610000  0.10880000  1
  O2-  O49  1  0.46230000  0.34390000  0.89120000  1
  O2-  O50  1  0.03770000  0.15610000  0.10880000  1
  O2-  O51  1  0.96230000  0.84390000  0.89120000  1
  O2-  O52  1  0.33200000  0.63820000  0.06250000  1
  O2-  O53  1  0.66800000  0.36180000  0.93750000  1
  O2-  O54  1  0.83200000  0.13820000  0.06250000  1
  O2-  O55  1  0.16800000  0.86180000  0.93750000  1
  O2-  O56  1  0.43320000  0.92970000  0.09140000  1
  O2-  O57  1  0.56680000  0.07030000  0.90860000  1
  O2-  O58  1  0.93320000  0.42970000  0.09140000  1
  O2-  O59  1  0.06680000  0.57030000  0.90860000  1
  O2-  O60  1  0.33990000  0.56550000  0.76400000  1
  O2-  O61  1  0.66010000  0.43450000  0.23600000  1
  O2-  O62  1  0.83990000  0.06550000  0.76400000  1
  O2-  O63  1  0.16010000  0.93450000  0.23600000  1
  O2-  O64  1  0.24500000  0.85370000  0.75300000  1
  O2-  O65  1  0.75500000  0.14630000  0.24700000  1
  O2-  O66  1  0.74500000  0.35370000  0.75300000  1
  O2-  O67  1  0.25500000  0.64630000  0.24700000  1
  O2-  O68  1  0.42790000  0.85230000  0.77430000  1
  O2-  O69  1  0.57210000  0.14770000  0.22570000  1
  O2-  O70  1  0.92790000  0.35230000  0.77430000  1
  O2-  O71  1  0.07210000  0.64770000  0.22570000  1
