# generated using pymatgen
data_CePaS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43022810
_cell_length_b   4.01318195
_cell_length_c   9.33998244
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.95510379
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CePaS6
_chemical_formula_sum   'Ce1 Pa1 S6'
_cell_volume   202.04371331
_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  0.21786813  0.25000000  0.84337840  1.0
  Pa  Pa1  1  0.78205384  0.75000100  0.15005675  1.0
  S  S2  1  0.26594804  0.75000100  0.07019771  1.0
  S  S3  1  0.01023389  0.25000000  0.32510165  1.0
  S  S4  1  0.63289122  0.25000000  0.32824749  1.0
  S  S5  1  0.36447695  0.75000100  0.66357926  1.0
  S  S6  1  0.98654258  0.75000100  0.66904104  1.0
  S  S7  1  0.73998136  0.25000000  0.95039671  1.0