data_[Tl2V1In1F6]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2308]
_cell_length_b [6.2992]
_cell_length_c [6.3551]
_cell_angle_alpha [64.1672]
_cell_angle_beta [63.9489]
_cell_angle_gamma [62.9230]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2VInF6]
_chemical_formula_sum '[Tl2 V1 In1 F6]'
_cell_volume [190.6587]
_cell_formula_units_Z [1]
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  2  0.2493  0.2442  0.2372  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.5000  0.5000  0.5000  1.0
  F  F3  2  0.1285  0.8211  0.2854  1.0
  F  F4  2  0.2085  0.7129  0.8678  1.0
  F  F5  2  0.2874  0.1426  0.8233  1.0
]