data_[K4Tl4Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.8715]
_cell_length_b [16.6882]
_cell_length_c [8.6540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2Tl2Br7]
_chemical_formula_sum '[K4 Tl4 Br14]'
_cell_volume [982.0037]
_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  4  0.3539  0.1432  0.0847  1
  Tl  Tl1  4  0.1747  0.6214  0.8476  1
  Br  Br2  4  0.0827  0.2337  0.7835  1
  Br  Br3  4  0.2948  0.5535  0.5898  1
  Br  Br4  4  0.4935  0.6786  0.0344  1
  Br  Br5  2  0.0000  0.0000  0.5000  1
]