data_[Ga8Hg4Br24]
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 [C2/c]
_cell_length_a [18.8441]
_cell_length_b [12.5993]
_cell_length_c [6.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2HgBr6]
_chemical_formula_sum '[Ga8 Hg4 Br24]'
_cell_volume [1506.6854]
_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  8  0.1642  0.4031  0.7349  1.0
  Hg  Hg1  4  0.0000  0.0269  0.2500  1.0
  Br  Br2  8  0.0935  0.2638  0.5551  1.0
  Br  Br3  8  0.1153  0.4282  0.0430  1.0
  Br  Br4  8  0.2081  0.0993  0.1589  1.0
]