data_[Li2Ho4Hg6]
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 [P-3m1]
_cell_length_a [5.1092]
_cell_length_b [5.1092]
_cell_length_c [12.4681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [LiHo2Hg3]
_chemical_formula_sum '[Li2 Ho4 Hg6]'
_cell_volume [281.8577]
_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  2  0.3333  0.6667  0.6648  1
  Ho  Ho1  2  0.3333  0.6667  0.1784  1
  Ho  Ho2  1  0.0000  0.0000  0.0000  1
  Ho  Ho3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.0000  0.2544  1
  Hg  Hg5  2  0.3333  0.6667  0.4244  1
  Hg  Hg6  2  0.3333  0.6667  0.9113  1
]