data_[Li6Ga4Hg8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3139]
_cell_length_b [4.7083]
_cell_length_c [8.9345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(GaHg2)2]
_chemical_formula_sum '[Li6 Ga4 Hg8]'
_cell_volume [363.5494]
_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
[
  Li  Li0  4  0.1634  0.5000  0.6693  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1106  0.5000  0.2822  1.0
  Hg  Hg3  4  0.0642  0.0000  0.3907  1.0
  Hg  Hg4  4  0.2074  0.5000  0.0568  1.0
]