data_[Li12Ga6Hg2]
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 [P2_1/c]
_cell_length_a [6.8666]
_cell_length_b [6.4435]
_cell_length_c [9.7538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6Ga3Hg]
_chemical_formula_sum '[Li12 Ga6 Hg2]'
_cell_volume [345.3943]
_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  0.1119  0.5952  0.1569  1
  Li  Li1  4  0.2244  0.1815  0.3100  1
  Li  Li2  4  0.4843  0.1550  0.6900  1
  Ga  Ga3  4  0.2642  0.6816  0.9656  1
  Ga  Ga4  2  0.5000  0.0000  0.0000  1
  Hg  Hg5  2  0.0000  0.0000  0.0000  1
]