data_[In8Ga4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [13.8583]
_cell_length_b [5.1090]
_cell_length_c [11.2712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2GaBr2]
_chemical_formula_sum '[In8 Ga4 Br8]'
_cell_volume [635.5355]
_cell_formula_units_Z [4]
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
[
  In  In0  2  0.1395  0.5000  0.7457  1
  In  In1  2  0.3169  0.5000  0.3362  1
  In  In2  2  0.3386  0.0000  0.0839  1
  In  In3  2  0.4578  0.5000  0.1040  1
  Ga  Ga4  2  0.0154  0.5000  0.9901  1
  Ga  Ga5  2  0.0968  0.0000  0.9844  1
  Br  Br6  2  0.1899  0.0000  0.3584  1
  Br  Br7  2  0.2912  0.0000  0.7548  1
  Br  Br8  2  0.4694  0.5000  0.6931  1
  Br  Br9  2  0.4964  0.0000  0.4129  1
]