# generated using pymatgen
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23593673
_cell_length_b   6.07352950
_cell_length_c   5.51131888
_cell_angle_alpha   77.13701108
_cell_angle_beta   54.91426789
_cell_angle_gamma   47.94872103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPO4
_chemical_formula_sum   'Cu2 P2 O8'
_cell_volume   141.81885281
_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  0.02600600  0.47399400  0.02600600  1.0
  Cu  Cu1  1  0.77600600  0.22399400  0.77600600  1.0
  P  P2  1  0.38923400  0.11076600  0.38923400  1.0
  P  P3  1  0.13923400  0.86076600  0.13923400  1.0
  O  O4  1  0.00357200  0.17798100  0.06098300  1.0
  O  O5  1  0.60418200  0.75954200  0.35618300  1.0
  O  O6  1  0.35618300  0.28009200  0.60418200  1.0
  O  O7  1  0.96990800  0.89381700  0.49045800  1.0
  O  O8  1  0.49045800  0.64581800  0.96990800  1.0
  O  O9  1  0.07201900  0.24642800  0.49253700  1.0
  O  O10  1  0.06098300  0.75746400  0.00357200  1.0
  O  O11  1  0.49253600  0.18901700  0.07201900  1.0