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 [P2_1/c]
_cell_length_a [7.6562]
_cell_length_b [5.9981]
_cell_length_c [8.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlCdF3]
_chemical_formula_sum '[Tl4 Cd4 F12]'
_cell_volume [373.6683]
_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  0.3914  0.7434  0.3374  1
  Cd  Cd1  4  0.0820  0.2438  0.9237  1
  F  F2  4  0.0546  0.0723  0.6690  1
  F  F3  4  0.1806  0.5834  0.5513  1
  F  F4  4  0.3551  0.1550  0.4115  1
]