data_[Li6Ag1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9321]
_cell_length_b [7.9321]
_cell_length_c [3.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li6AgHg2]
_chemical_formula_sum '[Li6 Ag1 Hg2]'
_cell_volume [165.0959]
_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  3  0.0000  0.2842  0.0000  1.0
  Li  Li1  3  0.0000  0.6249  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.3333  0.6667  0.0000  1.0
]