data_[Ga4S4Br4]
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 [C2/m]
_cell_length_a [14.9052]
_cell_length_b [3.7459]
_cell_length_c [7.1224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaSBr]
_chemical_formula_sum '[Ga4 S4 Br4]'
_cell_volume [381.8616]
_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  0.1767  0.5000  0.5526  1.0
  S  S1  4  0.1586  0.0000  0.3458  1.0
  Br  Br2  4  0.1007  0.5000  0.7920  1.0
]