data_[Li2Ho4Hg16]
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 [16.3237]
_cell_length_b [4.9540]
_cell_length_c [6.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(HoHg4)2]
_chemical_formula_sum '[Li2 Ho4 Hg16]'
_cell_volume [520.9305]
_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  0.0000  0.5000  0.0000  1.0
  Ho  Ho1  4  0.2014  0.0000  0.6804  1.0
  Hg  Hg2  4  0.0093  0.0000  0.7261  1.0
  Hg  Hg3  4  0.1185  0.5000  0.4098  1.0
  Hg  Hg4  4  0.1433  0.5000  0.8745  1.0
  Hg  Hg5  4  0.1660  0.0000  0.1789  1.0
]