data_[Cs4K8Nb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I2_12_12_1]
_cell_length_a [8.1974]
_cell_length_b [10.4027]
_cell_length_c [12.8524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [24]
_chemical_formula_structural [CsK2NbS4]
_chemical_formula_sum '[Cs4 K8 Nb4 S16]'
_cell_volume [1095.9950]
_cell_formula_units_Z [4]
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  4  0.2500  0.2429  0.5000  1.0
  K  K1  4  0.1400  0.5000  0.7500  1.0
  K  K2  4  0.2500  0.2200  0.0000  1.0
  Nb  Nb3  4  0.1333  0.0000  0.2500  1.0
  S  S4  8  0.0217  0.4944  0.0992  1.0
  S  S5  8  0.1974  0.8248  0.7450  1.0
]