data_[Tl4V2Cd2F12]
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
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8808]
_cell_length_b [6.2212]
_cell_length_c [5.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2VCdF6]
_chemical_formula_sum '[Tl4 V2 Cd2 F12]'
_cell_volume [306.6146]
_cell_formula_units_Z [2]
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  0.2447  0.5000  0.7375  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  2  0.0000  0.5000  0.0000  1
  F  F3  8  0.0191  0.2348  0.2742  1
  F  F4  4  0.2324  0.0000  0.7450  1
]