data_[Ga4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.2324]
_cell_length_b [9.0468]
_cell_length_c [5.1999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaBr2]
_chemical_formula_sum '[Ga4 Br8]'
_cell_volume [470.3974]
_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
[
  Ga  Ga0  4  0.0712  0.5000  0.8366  1.0
  Br  Br1  4  0.0000  0.2982  0.5000  1.0
  Br  Br2  4  0.1965  0.0000  0.0516  1.0
]