data_[Cs2Nb2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nb  1.6000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6223]
_cell_length_b [3.7039]
_cell_length_c [9.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNbPdS3]
_chemical_formula_sum '[Cs2 Nb2 Pd2 S6]'
_cell_volume [287.6498]
_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  0.0170  0.2500  0.7773  1
  Nb  Nb1  2  0.4640  0.2500  0.6661  1
  Pd  Pd2  2  0.4651  0.7500  0.8798  1
  S  S3  2  0.2513  0.7500  0.6285  1
  S  S4  2  0.3330  0.7500  0.0772  1
  S  S5  2  0.3523  0.2500  0.3790  1
]