data_[Tl4Cd4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [8.4029]
_cell_length_b [12.2551]
_cell_length_c [3.5363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [TlCdF3]
_chemical_formula_sum '[Tl4 Cd4 F12]'
_cell_volume [364.1689]
_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  2  0.0000  0.0000  0.8208  1.0
  Tl  Tl1  2  0.0000  0.5000  0.1776  1.0
  Cd  Cd2  4  0.2500  0.2500  0.6706  1.0
  F  F3  8  0.2045  0.1337  0.1715  1.0
  F  F4  4  0.0000  0.3173  0.6738  1.0
]