data_[Rb2V8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6330]
_cell_length_b [3.3436]
_cell_length_c [11.5740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(VS2)4]
_chemical_formula_sum '[Rb2 V8 S16]'
_cell_volume [490.4327]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1
  V  V1  4  0.1554  0.0000  0.9823  1
  V  V2  4  0.1646  0.5000  0.3439  1
  S  S3  4  0.0371  0.0000  0.2340  1
  S  S4  4  0.1303  0.5000  0.0958  1
  S  S5  4  0.1601  0.5000  0.8360  1
  S  S6  4  0.2056  0.5000  0.5781  1
]