data_[Rb8Nb8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9240]
_cell_length_b [14.0387]
_cell_length_c [7.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbNbS3]
_chemical_formula_sum '[Rb8 Nb8 S24]'
_cell_volume [1423.8695]
_cell_formula_units_Z [8]
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
[
  Rb  Rb0  4  0.0000  0.1021  0.7500  1.0
  Rb  Rb1  4  0.0000  0.3261  0.2500  1.0
  Nb  Nb2  8  0.2145  0.4199  0.7550  1.0
  S  S3  8  0.1231  0.0999  0.1910  1.0
  S  S4  8  0.1453  0.2811  0.6688  1.0
  S  S5  8  0.1533  0.4667  0.0183  1.0
]