data_[Li12Ho4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8880]
_cell_length_b [4.1567]
_cell_length_c [9.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3HoHg2]
_chemical_formula_sum '[Li12 Ho4 Hg8]'
_cell_volume [489.8600]
_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  4  0.0649  0.0000  0.4131  1.0
  Li  Li1  4  0.0751  0.5000  0.6866  1.0
  Li  Li2  4  0.2395  0.5000  0.5875  1.0
  Ho  Ho3  4  0.1230  0.0000  0.9966  1.0
  Hg  Hg4  4  0.0753  0.5000  0.2168  1.0
  Hg  Hg5  4  0.2052  0.0000  0.7604  1.0
]