data_[Tl4V4F16]
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 [13.9161]
_cell_length_b [5.3887]
_cell_length_c [5.5217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlVF4]
_chemical_formula_sum '[Tl4 V4 F16]'
_cell_volume [389.6219]
_cell_formula_units_Z [4]
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  4  0.0000  0.2609  0.2500  1.0
  V  V1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.1087  0.1546  0.9071  1.0
  F  F3  8  0.2161  0.4436  0.6772  1.0
]