# generated using pymatgen
data_Ce6PSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80738422
_cell_length_b   7.80738360
_cell_length_c   7.75925215
_cell_angle_alpha   109.34638627
_cell_angle_beta   109.34638467
_cell_angle_gamma   109.59576783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce6PSe7
_chemical_formula_sum   'Ce6 P1 Se7'
_cell_volume   364.64965756
_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
  Ce  Ce0  1  0.25897265  0.12234333  0.86858845  1.0
  Ce  Ce1  1  0.13557897  0.87688159  0.26208977  1.0
  Ce  Ce2  1  0.74130362  0.36442103  0.62651180  1.0
  Ce  Ce3  1  0.86337067  0.24102735  0.10961579  1.0
  Ce  Ce4  1  0.62311841  0.75869638  0.38520818  1.0
  Ce  Ce5  1  0.37765667  0.63662933  0.74624512  1.0
  P  P6  1  0.50000000  0.00000000  0.65085975  1.0
  Se  Se7  1  0.99478903  0.64168850  0.49591734  1.0
  Se  Se8  1  0.64690047  0.50521097  0.00112932  1.0
  Se  Se9  1  0.99983132  0.14683819  0.49848498  1.0
  Se  Se10  1  0.85831150  0.85309953  0.85422885  1.0
  Se  Se11  1  0.35316181  0.35299314  0.35164680  1.0
  Se  Se12  1  0.14700686  0.50016868  0.99865366  1.0
  Se  Se13  1  0.50000000  0.00000000  0.15081918  1.0