data_[Cs4Pd2Se12S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5463]
_cell_length_b [7.0175]
_cell_length_c [8.3111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pd(Se3S)2]
_chemical_formula_sum '[Cs4 Pd2 Se12 S4]'
_cell_volume [757.7528]
_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
[
  Cs  Cs0  4  0.1703  0.5000  0.1967  1
  Pd  Pd1  2  0.0000  0.5000  0.5000  1
  Se  Se2  8  0.0798  0.2832  0.7332  1
  Se  Se3  4  0.1649  0.0000  0.3476  1
  S  S4  4  0.0022  0.0000  0.2267  1
]