data_[Ho24Fe12Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.6187]
_cell_length_b [9.6187]
_cell_length_c [9.6187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Ho12Fe6Hg]
_chemical_formula_sum '[Ho24 Fe12 Hg2]'
_cell_volume [889.9244]
_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  24  0.0000  0.1949  0.2978  1
  Fe  Fe1  12  0.0000  0.3896  0.5000  1
  Hg  Hg2  2  0.0000  0.0000  0.0000  1
]