data_[Rb8Nb4S12]
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/m]
_cell_length_a [13.8861]
_cell_length_b [7.1694]
_cell_length_c [9.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2NbS3]
_chemical_formula_sum '[Rb8 Nb4 S12]'
_cell_volume [794.5984]
_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
[
  Rb  Rb0  4  0.0818  0.0000  0.8575  1
  Rb  Rb1  4  0.1946  0.5000  0.3115  1
  Nb  Nb2  4  0.1123  0.5000  0.6715  1
  S  S3  4  0.0000  0.2383  0.5000  1
  S  S4  4  0.1120  0.5000  0.9024  1
  S  S5  4  0.2024  0.0000  0.2758  1
]