data_[Tl6In4Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  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 [8.1977]
_cell_length_b [14.1716]
_cell_length_c [8.1797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3In2GaBr6]
_chemical_formula_sum '[Tl6 In4 Ga2 Br12]'
_cell_volume [895.8955]
_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
[
  Tl  Tl0  4  0.0000  0.1680  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  In  In2  4  0.0000  0.3337  0.0000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  8  0.2405  0.1613  0.2391  1.0
  Br  Br5  4  0.2403  0.0000  0.7543  1.0
]