data_[Li28Hg12Au4]
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 [Cmcm]
_cell_length_a [3.1376]
_cell_length_b [22.3516]
_cell_length_c [11.8773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li7Hg3Au]
_chemical_formula_sum '[Li28 Hg12 Au4]'
_cell_volume [832.9493]
_cell_formula_units_Z [4]
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  0.0000  0.2740  0.0949  1
  Li  Li1  8  0.0000  0.4123  0.1101  1
  Li  Li2  8  0.0000  0.4498  0.6274  1
  Li  Li3  4  0.0000  0.3163  0.7500  1
  Hg  Hg4  8  0.0000  0.1502  0.0555  1
  Hg  Hg5  4  0.0000  0.1662  0.7500  1
  Au  Au6  4  0.0000  0.0232  0.7500  1
]