data_[Ga2Hg2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9115]
_cell_length_b [4.8994]
_cell_length_c [5.0227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaHgBr2]
_chemical_formula_sum '[Ga2 Hg2 Br4]'
_cell_volume [284.2700]
_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  2  0.3501  0.5000  0.6350  1
  Hg  Hg1  2  0.0272  0.0000  0.3941  1
  Br  Br2  2  0.1730  0.5000  0.2487  1
  Br  Br3  2  0.3502  0.0000  0.8109  1
]