data_[Ga4Ge2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [12.6776]
_cell_length_b [10.5300]
_cell_length_c [6.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2GeBr8]
_chemical_formula_sum '[Ga4 Ge2 Br16]'
_cell_volume [868.5880]
_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
[
  Ga  Ga0  4  0.2012  0.0000  0.6477  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1044  0.1784  0.7634  1.0
  Br  Br3  4  0.1220  0.5000  0.2248  1.0
  Br  Br4  4  0.1920  0.0000  0.2802  1.0
]