# generated using pymatgen
data_CuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78337532
_cell_length_b   5.76654591
_cell_length_c   7.49791675
_cell_angle_alpha   112.60047173
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2
_chemical_formula_sum   'Cu4 P8'
_cell_volume   190.93693188
_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  0.04048855  0.77427506  0.91845882  1.0
  Cu  Cu1  1  0.54048855  0.72572494  0.58154118  1.0
  Cu  Cu2  1  0.95951145  0.22572494  0.08154118  1.0
  Cu  Cu3  1  0.45951145  0.27427506  0.41845882  1.0
  P  P4  1  0.38393146  0.67330889  0.08040032  1.0
  P  P5  1  0.88393146  0.82669111  0.41959968  1.0
  P  P6  1  0.61606854  0.32669111  0.91959968  1.0
  P  P7  1  0.11606854  0.17330889  0.58040032  1.0
  P  P8  1  0.78035616  0.45381907  0.69971911  1.0
  P  P9  1  0.28035616  0.04618093  0.80028089  1.0
  P  P10  1  0.21964384  0.54618093  0.30028089  1.0
  P  P11  1  0.71964384  0.95381907  0.19971911  1.0