data_[K4Tl6Ga2Br12]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6173]
_cell_length_b [4.7247]
_cell_length_c [9.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Tl3GaBr6]
_chemical_formula_sum '[K4 Tl6 Ga2 Br12]'
_cell_volume [896.7284]
_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  0.1650  0.0000  0.3300  1.0
  Tl  Tl1  4  0.1673  0.0000  0.8344  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0002  0.0000  0.7626  1.0
  Br  Br5  4  0.1603  0.5000  0.0825  1.0
  Br  Br6  4  0.1678  0.5000  0.5791  1.0
]