data_[Ga4S2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6724]
_cell_length_b [7.5308]
_cell_length_c [7.6858]
_cell_angle_alpha [111.0095]
_cell_angle_beta [91.1321]
_cell_angle_gamma [91.4912]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga2SBr2]
_chemical_formula_sum '[Ga4 S2 Br4]'
_cell_volume [360.2243]
_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  2  0.0071  0.6413  0.6437  1
  Ga  Ga1  2  0.4923  0.3587  0.3562  1
  S  S2  2  0.2337  0.1887  0.1833  1
  Br  Br3  2  0.2600  0.5692  0.8605  1
  Br  Br4  2  0.2627  0.8710  0.5868  1
]