data_[Tl1Cd1Sb1F6]
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
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [6.1950]
_cell_length_b [6.1950]
_cell_length_c [5.3143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlCdSbF6]
_chemical_formula_sum '[Tl1 Cd1 Sb1 F6]'
_cell_volume [176.6253]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.0228  1.0
  Cd  Cd1  1  0.6667  0.3333  0.4899  1.0
  Sb  Sb2  1  0.0000  0.0000  0.5430  1.0
  F  F3  3  0.2840  0.2264  0.2929  1.0
  F  F4  3  0.3585  0.0046  0.6871  1.0
]