data_[Tl8V8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6328]
_cell_length_b [10.3899]
_cell_length_c [5.7987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlVF3]
_chemical_formula_sum '[Tl8 V8 F24]'
_cell_volume [759.9568]
_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
[
  Tl  Tl0  8  0.2013  0.3966  0.2767  1.0
  V  V1  4  0.0000  0.0795  0.2500  1.0
  V  V2  4  0.0000  0.2429  0.7500  1.0
  F  F3  8  0.0808  0.0773  0.9294  1.0
  F  F4  8  0.0845  0.2197  0.4426  1.0
  F  F5  8  0.1103  0.3761  0.8832  1.0
]