data_[Ga4Hg4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.9159]
_cell_length_b [6.5240]
_cell_length_c [14.0742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GaHgCl3]
_chemical_formula_sum '[Ga4 Hg4 Cl12]'
_cell_volume [812.7459]
_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  0.3561  0.6175  0.4861  1.0
  Hg  Hg1  4  0.0751  0.2474  0.5256  1.0
  Cl  Cl2  4  0.1494  0.6452  0.3158  1.0
  Cl  Cl3  4  0.3909  0.7474  0.6392  1.0
  Cl  Cl4  4  0.4435  0.2208  0.0225  1.0
]