data_[Ga4Pt2I4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
  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 [13.4273]
_cell_length_b [8.9767]
_cell_length_c [7.9589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2Pt(IBr3)2]
_chemical_formula_sum '[Ga4 Pt2 I4 Br12]'
_cell_volume [943.5794]
_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  4  0.2164  0.0000  0.3317  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.1815  0.0000  0.6307  1
  Br  Br3  8  0.1134  0.1908  0.1505  1
  Br  Br4  4  0.1188  0.5000  0.7108  1
]