data_[Cs4Fe4Pd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [5.6786]
_cell_length_b [14.4440]
_cell_length_c [5.7707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [CsFePdS2]
_chemical_formula_sum '[Cs4 Fe4 Pd4 S8]'
_cell_volume [473.3195]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.7709  1.0
  Fe  Fe1  4  0.2500  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.0982  0.3147  1.0
]