data_[Li2Ga2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0671]
_cell_length_b [7.1303]
_cell_length_c [10.1406]
_cell_angle_alpha [98.4763]
_cell_angle_beta [96.4914]
_cell_angle_gamma [110.6327]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Ga2HgI6]
_chemical_formula_sum '[Li2 Ga2 Hg1 I6]'
_cell_volume [465.4152]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.1215  0.6244  0.8390  1.0
  Ga  Ga1  2  0.3001  0.1032  0.3128  1.0
  Hg  Hg2  1  0.5000  0.0000  0.5000  1.0
  I  I3  2  0.0023  0.2314  0.3806  1.0
  I  I4  2  0.0830  0.7731  0.1090  1.0
  I  I5  2  0.4991  0.3930  0.1867  1.0
]