# generated using pymatgen
data_CuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64591308
_cell_length_b   4.64591308
_cell_length_c   4.64591308
_cell_angle_alpha   108.61763776
_cell_angle_beta   108.61763776
_cell_angle_gamma   111.19221544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPO4
_chemical_formula_sum   'Cu1 P1 O4'
_cell_volume   77.14297513
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  P  P1  1  0.75000000  0.25000000  0.50000000  1.0
  O  O2  1  0.39328300  0.94848400  0.16435200  1.0
  O  O3  1  0.77106900  0.60671700  0.55520100  1.0
  O  O4  1  0.78413200  0.22893100  0.83564800  1.0
  O  O5  1  0.05151600  0.21586800  0.44479900  1.0