data_[Ho16Zn4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7428]
_cell_length_b [5.0397]
_cell_length_c [7.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8Zn2Hg]
_chemical_formula_sum '[Ho16 Zn4 Hg2]'
_cell_volume [602.1074]
_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  0.0290  0.0000  0.7648  1.0
  Ho  Ho1  4  0.0924  0.5000  0.4658  1.0
  Ho  Ho2  4  0.1714  0.5000  0.9734  1.0
  Ho  Ho3  4  0.1979  0.0000  0.3158  1.0
  Zn  Zn4  4  0.1849  0.0000  0.7077  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]