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 [C2/m]
_cell_length_a [19.5761]
_cell_length_b [4.0741]
_cell_length_c [8.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2GaBr2]
_chemical_formula_sum '[In8 Ga4 Br8]'
_cell_volume [645.8283]
_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  4  0.0069  0.5000  0.2515  1.0
  In  In1  4  0.2416  0.0000  0.1434  1.0
  Ga  Ga2  4  0.2369  0.0000  0.5923  1.0
  Br  Br3  4  0.0950  0.0000  0.0500  1.0
  Br  Br4  4  0.1031  0.0000  0.5436  1.0
]