data_[Tl1V1Pb1F6]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7901]
_cell_length_b [5.7895]
_cell_length_c [6.1864]
_cell_angle_alpha [117.8415]
_cell_angle_beta [93.9351]
_cell_angle_gamma [91.2496]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlVPbF6]
_chemical_formula_sum '[Tl1 V1 Pb1 F6]'
_cell_volume [151.0607]
_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  1  0.2007  0.9776  0.9653  1.0
  V  V1  1  0.4191  0.6703  0.3425  1.0
  Pb  Pb2  1  0.8135  0.2714  0.5721  1.0
  F  F3  1  0.1972  0.5013  0.0260  1.0
  F  F4  1  0.1982  0.5042  0.5021  1.0
  F  F5  1  0.2041  0.0006  0.4793  1.0
  F  F6  1  0.6504  0.3616  0.2399  1.0
  F  F7  1  0.6580  0.8523  0.6543  1.0
  F  F8  1  0.6587  0.8608  0.2185  1.0
]