data_[Ho24Cd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7547]
_cell_length_b [10.0740]
_cell_length_c [10.3989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho6CdHg2]
_chemical_formula_sum '[Ho24 Cd4 Hg8]'
_cell_volume [1021.8841]
_cell_formula_units_Z [4]
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  8  0.0000  0.2796  0.3226  1.0
  Ho  Ho1  8  0.1797  0.2731  0.0000  1.0
  Ho  Ho2  8  0.1977  0.0000  0.2486  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.1382  1.0
  Hg  Hg6  4  0.1513  0.5000  0.5000  1.0
]