# generated using pymatgen
data_Cu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51246599
_cell_length_b   7.51246599
_cell_length_c   9.51056838
_cell_angle_alpha   66.17200224
_cell_angle_beta   66.17200224
_cell_angle_gamma   64.82681112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(PO3)2
_chemical_formula_sum   'Cu4 P8 O24'
_cell_volume   426.53753142
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Cu  Cu0  1  0.44570379  0.55429621  0.75000000  1.0
  Cu  Cu1  1  0.55429621  0.44570379  0.25000000  1.0
  Cu  Cu2  1  0.50000000  -0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  -0.00000000  1.0
  P  P4  1  0.23147397  0.74522218  0.47712348  1.0
  P  P5  1  0.18215165  0.19157811  0.80321770  1.0
  P  P6  1  0.76852603  0.25477782  0.52287652  1.0
  P  P7  1  0.81784835  0.80842189  0.19678230  1.0
  P  P8  1  0.25477782  0.76852603  0.02287652  1.0
  P  P9  1  0.80842189  0.81784835  0.69678230  1.0
  P  P10  1  0.19157811  0.18215165  0.30321770  1.0
  P  P11  1  0.74522218  0.23147397  0.97712348  1.0
  O  O12  1  0.62640298  0.81077287  0.67335796  1.0
  O  O13  1  0.30488231  0.76941049  0.59150468  1.0
  O  O14  1  0.78689352  0.04997134  0.66726201  1.0
  O  O15  1  0.23058951  0.69511769  0.90849532  1.0
  O  O16  1  0.43271549  0.65741943  0.08752861  1.0
  O  O17  1  0.04997134  0.78689352  0.16726201  1.0
  O  O18  1  0.25163021  0.00063052  0.94550291  1.0
  O  O19  1  0.21310648  0.95002866  0.33273799  1.0
  O  O20  1  0.81077287  0.62640298  0.17335796  1.0
  O  O21  1  0.00063052  0.25163021  0.44550291  1.0
  O  O22  1  0.65741943  0.43271549  0.58752861  1.0
  O  O23  1  -0.00063052  0.74836979  0.55449709  1.0
  O  O24  1  0.69511769  0.23058951  0.40849532  1.0
  O  O25  1  0.56728451  0.34258057  0.91247139  1.0
  O  O26  1  0.76941049  0.30488231  0.09150468  1.0
  O  O27  1  0.37359702  0.18922713  0.32664204  1.0
  O  O28  1  0.15506436  0.29622336  0.14535323  1.0
  O  O29  1  0.74836979  -0.00063052  0.05449709  1.0
  O  O30  1  0.84493564  0.70377664  0.85464677  1.0
  O  O31  1  0.34258057  0.56728451  0.41247139  1.0
  O  O32  1  0.70377664  0.84493564  0.35464677  1.0
  O  O33  1  0.95002866  0.21310648  0.83273799  1.0
  O  O34  1  0.29622336  0.15506436  0.64535323  1.0
  O  O35  1  0.18922713  0.37359702  0.82664204  1.0