data_[Rb6V2S8]
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 [Imm2]
_cell_length_a [7.0605]
_cell_length_b [10.0887]
_cell_length_c [7.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb3VS4]
_chemical_formula_sum '[Rb6 V2 S8]'
_cell_volume [546.0881]
_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  4  0.0000  0.2394  0.4285  1.0
  Rb  Rb1  2  0.0000  0.0000  0.9963  1.0
  V  V2  2  0.0000  0.5000  0.9964  1.0
  S  S3  4  0.0000  0.3209  0.8383  1.0
  S  S4  4  0.2450  0.5000  0.1613  1.0
]