data_[Tl2Zn1Cd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3883]
_cell_length_b [4.3883]
_cell_length_c [8.6331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tl2ZnCdF6]
_chemical_formula_sum '[Tl2 Zn1 Cd1 F6]'
_cell_volume [166.2503]
_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  2  0.0000  0.0000  0.2653  1.0
  Zn  Zn1  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.0000  0.5000  0.0000  1.0
  F  F4  2  0.0000  0.5000  0.5000  1.0
  F  F5  2  0.5000  0.5000  0.2710  1.0
]