data_[In4Ge4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [13.6594]
_cell_length_b [4.7003]
_cell_length_c [5.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InGeBr]
_chemical_formula_sum '[In4 Ge4 Br4]'
_cell_volume [353.8732]
_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  0.3678  0.0000  0.7446  1
  Ge  Ge1  2  0.0000  0.0000  0.5330  1
  Ge  Ge2  2  0.5000  0.0000  0.2622  1
  Br  Br3  4  0.1304  0.0000  0.1910  1
]