data_[Tl4Ga4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [18.1746]
_cell_length_b [5.4251]
_cell_length_c [7.0409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ga2Br5]
_chemical_formula_sum '[Tl4 Ga4 Br10]'
_cell_volume [676.5833]
_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  0.0594  0.5000  0.3126  1
  Ga  Ga1  4  0.1532  0.0000  0.9400  1
  Br  Br2  4  0.1260  0.0000  0.5618  1
  Br  Br3  4  0.1656  0.5000  0.0044  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]