# generated using pymatgen
data_Cu(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83747981
_cell_length_b   6.83747981
_cell_length_c   4.94622080
_cell_angle_alpha   74.63273468
_cell_angle_beta   74.63273468
_cell_angle_gamma   84.49679700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(PO3)2
_chemical_formula_sum   'Cu2 P4 O12'
_cell_volume   214.91985818
_cell_formula_units_Z   2
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  0.12658700  0.87341300  0.75000000  1.0
  Cu  Cu1  1  0.87341300  0.12658700  0.25000000  1.0
  P  P2  1  0.80349800  0.62071400  0.24413900  1.0
  P  P3  1  0.19650200  0.37928600  0.75586100  1.0
  P  P4  1  0.37928600  0.19650200  0.25586100  1.0
  P  P5  1  0.62071400  0.80349800  0.74413900  1.0
  O  O6  1  0.04395700  0.20984100  0.86497600  1.0
  O  O7  1  0.63252700  0.67618500  0.50872800  1.0
  O  O8  1  0.59391200  0.12669100  0.16497500  1.0
  O  O9  1  0.67618500  0.63252700  0.00872800  1.0
  O  O10  1  0.87330900  0.40608800  0.33502500  1.0
  O  O11  1  0.79015900  0.95604300  0.63502400  1.0
  O  O12  1  0.36747300  0.32381500  0.49127200  1.0
  O  O13  1  0.20984100  0.04395700  0.36497600  1.0
  O  O14  1  0.12669100  0.59391200  0.66497500  1.0
  O  O15  1  0.32381500  0.36747300  0.99127200  1.0
  O  O16  1  0.40608800  0.87330900  0.83502500  1.0
  O  O17  1  0.95604300  0.79015900  0.13502400  1.0