data_[In4Ge2Br8]
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 [C2/m]
_cell_length_a [13.6765]
_cell_length_b [4.2627]
_cell_length_c [9.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2GeBr4]
_chemical_formula_sum '[In4 Ge2 Br8]'
_cell_volume [462.9959]
_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
[
  In  In0  4  0.1663  0.5000  0.6514  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.0955  0.0000  0.3534  1.0
  Br  Br3  4  0.1535  0.5000  0.0470  1.0
]