data_[Tl6Cd2F8]
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 [Pmmn]
_cell_length_a [5.8951]
_cell_length_b [9.7380]
_cell_length_c [5.8129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl3CdF4]
_chemical_formula_sum '[Tl6 Cd2 F8]'
_cell_volume [333.6940]
_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  0.0000  0.2726  0.8055  1
  Tl  Tl1  2  0.0000  0.0000  0.3593  1
  Cd  Cd2  2  0.0000  0.5000  0.3053  1
  F  F3  4  0.0000  0.2637  0.2602  1
  F  F4  4  0.2430  0.5000  0.9955  1
]