data_[Tl4Cd4F4]
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 [C2/m]
_cell_length_a [12.1155]
_cell_length_b [3.4821]
_cell_length_c [7.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCdF]
_chemical_formula_sum '[Tl4 Cd4 F4]'
_cell_volume [281.7332]
_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  0.1139  0.0000  0.9128  1
  Cd  Cd1  4  0.1015  0.5000  0.4026  1
  F  F2  4  0.2098  0.0000  0.6278  1
]