# generated using pymatgen
data_LiZr2(PO4)3
_symmetry_space_group_name_H-M   P3c1
_cell_length_a   8.83667000
_cell_length_b   8.83667000
_cell_length_c   22.41770000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   158
_chemical_formula_structural   LiZr2(PO4)3
_chemical_formula_sum   'Li6 Zr12 P18 O72'
_cell_volume   1515.99915206
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z+1/2'
  5  '-x+y, y, z+1/2'
  6  'x, x-y, z+1/2'
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  6  0.18400000  0.05600000  0.48600000  1
  Zr4+  Zr1  2  0.00000000  0.00000000  0.14300000  1.0
  Zr4+  Zr2  2  0.00000000  0.00000000  0.35700000  1.0
  Zr4+  Zr3  2  0.33333333  0.66666667  0.02366667  1.0
  Zr4+  Zr4  2  0.33333333  0.66666667  0.30966667  1.0
  Zr4+  Zr5  2  0.66666667  0.33333333  0.69033333  1.0
  Zr4+  Zr6  2  0.66666667  0.33333333  0.97633333  1.0
  P5+  P7  6  0.00000000  0.28770000  0.25000000  1.0
  P5+  P8  6  0.04563333  0.37896667  0.91666667  1.0
  P5+  P9  6  0.37896667  0.04563333  0.58333333  1.0
  O2-  O10  6  0.01900000  0.20070000  0.19497000  1.0
  O2-  O11  6  0.02560000  0.19800000  0.91237000  1.0
  O2-  O12  6  0.13263333  0.48496667  0.86163667  1.0
  O2-  O13  6  0.13533333  0.49426667  0.57903667  1.0
  O2-  O14  6  0.15163333  0.46596667  0.97169667  1.0
  O2-  O15  6  0.16093333  0.46866667  0.25429667  1.0
  O2-  O16  6  0.19800000  0.02560000  0.58763000  1.0
  O2-  O17  6  0.20070000  0.01900000  0.30503000  1.0
  O2-  O18  6  0.46596667  0.15163333  0.52830333  1.0
  O2-  O19  6  0.46866667  0.16093333  0.24570333  1.0
  O2-  O20  6  0.48496667  0.13263333  0.63836333  1.0
  O2-  O21  6  0.49426667  0.13533333  0.92096333  1.0
