data_[Tl2Cd2Br4F2]
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
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3045]
_cell_length_b [4.0970]
_cell_length_c [10.0575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCdBr2F]
_chemical_formula_sum '[Tl2 Cd2 Br4 F2]'
_cell_volume [314.0001]
_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  2  0.2355  0.7500  0.6159  1
  Cd  Cd1  2  0.0673  0.7500  0.1910  1
  Br  Br2  2  0.1797  0.7500  0.9599  1
  Br  Br3  2  0.2937  0.2500  0.3409  1
  F  F4  2  0.0433  0.2500  0.6357  1
]