data_[Tl1V1Pb2F8]
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 [P-1]
_cell_length_a [5.3869]
_cell_length_b [5.5077]
_cell_length_c [7.7203]
_cell_angle_alpha [87.8315]
_cell_angle_beta [89.6578]
_cell_angle_gamma [88.3572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlVPb2F8]
_chemical_formula_sum '[Tl1 V1 Pb2 F8]'
_cell_volume [228.7978]
_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  0.0000  0.0000  0.5000  1
  V  V1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.4875  0.4941  0.2402  1
  F  F3  2  0.1695  0.8022  0.8218  1
  F  F4  2  0.2190  0.8548  0.1886  1
  F  F5  2  0.2438  0.2609  0.9588  1
  F  F6  2  0.3074  0.3581  0.5267  1
]