data_[K2La2Tl4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9446]
_cell_length_b [8.7178]
_cell_length_c [13.6574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KLa(TlBr3)2]
_chemical_formula_sum '[K2 La2 Tl4 Br12]'
_cell_volume [798.5279]
_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
[
  K  K0  2  0.5000  0.0000  0.0000  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2978  0.5723  0.7744  1.0
  Br  Br3  4  0.0973  0.5714  0.2366  1.0
  Br  Br4  4  0.2550  0.2221  0.0877  1.0
  Br  Br5  4  0.3538  0.6715  0.0432  1.0
]