data_[Ga3As2Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2194]
_cell_length_b [20.1687]
_cell_length_c [6.7083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ga3As2Br3]
_chemical_formula_sum '[Ga3 As2 Br3]'
_cell_volume [766.5242]
_cell_formula_units_Z [1]
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  0.9929  0.1281  0.9529  1
  Ga  Ga1  1  0.4962  0.0000  0.2096  1
  As  As2  2  0.7271  0.0574  0.5683  1
  Br  Br3  2  0.4579  0.0916  0.9386  1
  Br  Br4  1  0.0681  0.0000  0.1514  1
]