data_[Cs2Pd2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3057]
_cell_length_b [6.8450]
_cell_length_c [6.8783]
_cell_angle_alpha [105.7015]
_cell_angle_beta [106.1276]
_cell_angle_gamma [92.5003]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPdS]
_chemical_formula_sum '[Cs2 Pd2 S2]'
_cell_volume [185.9227]
_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  2  0.4269  0.1898  0.3050  1.0
  Pd  Pd1  2  0.2986  0.6107  0.0935  1.0
  S  S2  2  0.1405  0.2820  0.7860  1.0
]