data_[Cs2Ba2Nb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4281]
_cell_length_b [7.1228]
_cell_length_c [9.7052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaNbS4]
_chemical_formula_sum '[Cs2 Ba2 Nb2 S8]'
_cell_volume [491.8897]
_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  0.2813  0.7500  0.0659  1.0
  Ba  Ba1  2  0.2354  0.7500  0.5516  1.0
  Nb  Nb2  2  0.2114  0.2500  0.3174  1.0
  S  S3  4  0.0136  0.5039  0.2771  1.0
  S  S4  2  0.3872  0.2500  0.5533  1.0
  S  S5  2  0.4049  0.2500  0.1708  1.0
]