# generated using pymatgen
data_CePu3P3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16688506
_cell_length_b   4.04417768
_cell_length_c   5.73972738
_cell_angle_alpha   89.98932184
_cell_angle_beta   90.12589012
_cell_angle_gamma   90.00314655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePu3P3S
_chemical_formula_sum   'Ce1 Pu3 P3 S1'
_cell_volume   189.57317360
_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  0.87497685  0.24991960  0.75022952  1.0
  Pu  Pu1  1  0.12270989  0.74994734  0.25002427  1.0
  Pu  Pu2  1  0.62533781  0.74995353  0.24945281  1.0
  Pu  Pu3  1  0.37669949  0.25017694  0.75028899  1.0
  P  P4  1  0.87407648  0.24996695  0.25008571  1.0
  P  P5  1  0.13341438  0.74994281  0.75047460  1.0
  P  P6  1  0.61696589  0.75007275  0.74919894  1.0
  S  S7  1  0.37582022  0.25001108  0.25024616  1.0