data_[K4Rb6Tl2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  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 [21.1449]
_cell_length_b [4.8526]
_cell_length_c [9.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Rb3TlBr6]
_chemical_formula_sum '[K4 Rb6 Tl2 Br12]'
_cell_volume [969.7619]
_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
[
  Rb  Rb0  4  0.1655  0.0000  0.8324  1.0
  K  K1  4  0.1672  0.0000  0.3324  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0034  0.0000  0.2468  1.0
  Br  Br5  4  0.1654  0.5000  0.0896  1.0
  Br  Br6  4  0.1690  0.5000  0.5761  1.0
]