data_[Ga4Hg4Br12]
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 [P2_1/c]
_cell_length_a [10.9629]
_cell_length_b [7.3966]
_cell_length_c [15.3498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GaHgBr3]
_chemical_formula_sum '[Ga4 Hg4 Br12]'
_cell_volume [913.5446]
_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  0.4025  0.6885  0.9111  1.0
  Hg  Hg1  4  0.0663  0.2394  0.5234  1.0
  Br  Br2  4  0.2518  0.6334  0.4325  1.0
  Br  Br3  4  0.3152  0.1333  0.3886  1.0
  Br  Br4  4  0.4213  0.7460  0.2748  1.0
]