data_[Li12Ag10Hg2]
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 [C2/m]
_cell_length_a [9.1962]
_cell_length_b [9.1760]
_cell_length_c [5.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Ag5Hg]
_chemical_formula_sum '[Li12 Ag10 Hg2]'
_cell_volume [412.3566]
_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  8  0.2483  0.3331  0.7496  1.0
  Li  Li1  4  0.2481  0.5000  0.2525  1.0
  Ag  Ag2  4  0.0000  0.1732  0.5000  1.0
  Ag  Ag3  4  0.0000  0.3381  0.0000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
]