data_[Ho16Hg2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8594]
_cell_length_b [5.0794]
_cell_length_c [7.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8HgAu2]
_chemical_formula_sum '[Ho16 Hg2 Au4]'
_cell_volume [609.7417]
_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
[
  Ho  Ho0  4  0.0314  0.0000  0.7699  1.0
  Ho  Ho1  4  0.0930  0.5000  0.4634  1.0
  Ho  Ho2  4  0.1708  0.5000  0.9739  1.0
  Ho  Ho3  4  0.2005  0.0000  0.3245  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1848  0.0000  0.7206  1.0
]