data_[K6Na4Tl2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0332]
_cell_length_b [4.6067]
_cell_length_c [9.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Na2TlBr6]
_chemical_formula_sum '[K6 Na4 Tl2 Br12]'
_cell_volume [832.8303]
_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  0.1638  0.0000  0.8332  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Na  Na2  4  0.1712  0.0000  0.3413  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0094  0.0000  0.2604  1.0
  Br  Br5  4  0.1697  0.5000  0.1046  1.0
  Br  Br6  4  0.1723  0.5000  0.5715  1.0
]