data_[Ga4Sn2Hg2Br16]
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
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4205]
_cell_length_b [7.7373]
_cell_length_c [10.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2SnHgBr8]
_chemical_formula_sum '[Ga4 Sn2 Hg2 Br16]'
_cell_volume [974.3566]
_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  0.2029  0.5000  0.1295  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.1468  0.2510  0.2264  1.0
  Br  Br4  4  0.1045  0.0000  0.7732  1.0
  Br  Br5  4  0.1347  0.5000  0.8842  1.0
]