data_[Li8Hg14Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4033]
_cell_length_b [5.2903]
_cell_length_c [8.3601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Hg7Au]
_chemical_formula_sum '[Li8 Hg14 Au2]'
_cell_volume [526.0409]
_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  0.0687  0.5000  0.4045  1
  Li  Li1  4  0.2364  0.5000  0.2359  1
  Hg  Hg2  4  0.0545  0.0000  0.7152  1
  Hg  Hg3  4  0.1938  0.5000  0.8453  1
  Hg  Hg4  4  0.1983  0.0000  0.3841  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
  Au  Au6  2  0.0000  0.0000  0.0000  1
]