data_[Li6Ga8Hg2]
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 [18.2855]
_cell_length_b [3.1794]
_cell_length_c [4.8101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ga4Hg]
_chemical_formula_sum '[Li6 Ga8 Hg2]'
_cell_volume [279.4187]
_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  0.1262  0.0000  0.0511  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  4  0.1288  0.5000  0.5491  1.0
  Ga  Ga3  4  0.2494  0.0000  0.7546  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]