data_[Ga2Sn2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6369]
_cell_length_b [6.8200]
_cell_length_c [6.9337]
_cell_angle_alpha [63.4195]
_cell_angle_beta [70.5411]
_cell_angle_gamma [70.2932]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaSnBr]
_chemical_formula_sum '[Ga2 Sn2 Br2]'
_cell_volume [180.2315]
_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  1  0.0936  0.1913  0.6107  1.0
  Ga  Ga1  1  0.1912  0.7857  0.6511  1.0
  Sn  Sn2  1  0.0641  0.6997  0.1011  1.0
  Sn  Sn3  1  0.8138  0.6254  0.5700  1.0
  Br  Br4  1  0.3771  0.0489  0.9664  1.0
  Br  Br5  1  0.5816  0.3478  0.2520  1.0
]