data_[Rb3Tl6V6S21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.5506]
_cell_length_b [6.5506]
_cell_length_c [32.6293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [RbTl2V2S7]
_chemical_formula_sum '[Rb3 Tl6 V6 S21]'
_cell_volume [1212.5505]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5000  1
  Tl  Tl1  6  0.0000  0.0000  0.3044  1
  V  V2  6  0.0000  0.0000  0.0685  1
  S  S3  18  0.0127  0.3109  0.9092  1
  S  S4  3  0.0000  0.0000  0.0000  1
]