data_[Li3Ho6Hg12Pb3]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1311]
_cell_length_b [5.1311]
_cell_length_c [25.3188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiHo2Hg4Pb]
_chemical_formula_sum '[Li3 Ho6 Hg12 Pb3]'
_cell_volume [577.2958]
_cell_formula_units_Z [3]
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  -0.0000  0.5000  1.0
  Ho  Ho1  6  0.0000  0.0000  0.2543  1.0
  Hg  Hg2  6  0.0000  0.0000  0.1343  1.0
  Hg  Hg3  6  0.0000  0.0000  0.3876  1.0
  Pb  Pb4  3  0.0000  0.0000  0.0000  1.0
]