data_[Cs2Nb4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.8528]
_cell_length_b [17.5306]
_cell_length_c [3.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Cs(NbS2)2]
_chemical_formula_sum '[Cs2 Nb4 S8]'
_cell_volume [357.1474]
_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  0.0000  0.5000  0.0000  1.0
  Nb  Nb1  4  0.0009  0.7500  0.0000  1.0
  S  S2  4  0.1645  0.8377  0.5000  1.0
  S  S3  4  0.1663  0.6623  0.5000  1.0
]