data_[In4Ga4Br4]
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 [Amm2]
_cell_length_a [5.2294]
_cell_length_b [9.4897]
_cell_length_c [7.0706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InGaBr]
_chemical_formula_sum '[In4 Ga4 Br4]'
_cell_volume [350.8820]
_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  0.5000  0.2143  0.6317  1
  Ga  Ga1  2  0.0000  0.0000  0.0235  1
  Ga  Ga2  2  0.5000  0.0000  0.9338  1
  Br  Br3  4  0.0000  0.1854  0.3369  1
]