data_[Ga4Sn4I4Br16]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5156]
_cell_length_b [9.6565]
_cell_length_c [10.6080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaSnIBr4]
_chemical_formula_sum '[Ga4 Sn4 I4 Br16]'
_cell_volume [1376.1979]
_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  0.1933  0.5000  0.3352  1.0
  Sn  Sn1  4  0.1316  0.0000  0.2200  1.0
  I  I2  4  0.0859  0.0000  0.8960  1.0
  Br  Br3  8  0.1454  0.3103  0.1684  1.0
  Br  Br4  4  0.1205  0.5000  0.4816  1.0
  Br  Br5  4  0.1303  0.0000  0.5124  1.0
]