# generated using pymatgen
data_Cu3PSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37096518
_cell_length_b   6.66590831
_cell_length_c   7.67275642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3PSe4
_chemical_formula_sum   'Cu6 P2 Se8'
_cell_volume   325.84868926
_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  0.00919585  0.82367069  0.25379302  1.0
  Cu  Cu1  1  0.50919585  0.17632931  0.24620698  1.0
  Cu  Cu2  1  0.50919585  0.17632931  0.75379302  1.0
  Cu  Cu3  1  0.00919585  0.82367069  0.74620698  1.0
  Cu  Cu4  1  0.99715447  0.34610941  -0.00000000  1.0
  Cu  Cu5  1  0.49715447  0.65389059  0.50000000  1.0
  P  P6  1  0.50023908  0.67220953  -0.00000000  1.0
  P  P7  1  0.00023908  0.32779047  0.50000000  1.0
  Se  Se8  1  0.35659910  0.32096014  0.50000000  1.0
  Se  Se9  1  0.85659910  0.67903986  -0.00000000  1.0
  Se  Se10  1  0.87534067  0.64513157  0.50000000  1.0
  Se  Se11  1  0.37534067  0.35486843  -0.00000000  1.0
  Se  Se12  1  0.38277649  0.83604601  0.24230346  1.0
  Se  Se13  1  0.88277649  0.16395399  0.25769654  1.0
  Se  Se14  1  0.88277649  0.16395399  0.74230346  1.0
  Se  Se15  1  0.38277649  0.83604601  0.75769654  1.0