data_[Ga4Hg4Br4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3658]
_cell_length_b [11.1521]
_cell_length_c [10.6803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaHgBrCl4]
_chemical_formula_sum '[Ga4 Hg4 Br4 Cl16]'
_cell_volume [1151.3878]
_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  0.1283  0.5000  0.2482  1
  Hg  Hg1  4  0.2007  0.0000  0.0087  1
  Br  Br2  4  0.0187  0.0000  0.1892  1
  Cl  Cl3  8  0.1633  0.3411  0.1441  1
  Cl  Cl4  4  0.1073  0.5000  0.7751  1
  Cl  Cl5  4  0.2220  0.5000  0.4624  1
]