data_[Cs2Pd2S6]
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 [7.0991]
_cell_length_b [7.3123]
_cell_length_c [7.6106]
_cell_angle_alpha [99.3432]
_cell_angle_beta [107.7120]
_cell_angle_gamma [118.3683]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPdS3]
_chemical_formula_sum '[Cs2 Pd2 S6]'
_cell_volume [308.1516]
_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  0.2964  0.8368  0.6906  1
  Pd  Pd1  2  0.4955  0.5134  0.2518  1
  S  S2  2  0.1007  0.9240  0.2517  1
  S  S3  2  0.2706  0.2784  0.3962  1
  S  S4  2  0.2808  0.2806  0.9071  1
]