data_[Ho16Ni8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.3811]
_cell_length_b [14.6252]
_cell_length_c [6.7458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ho4Ni2Hg]
_chemical_formula_sum '[Ho16 Ni8 Hg4]'
_cell_volume [653.6158]
_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  4  0.1639  0.0305  0.9092  1.0
  Ho  Ho1  4  0.1851  0.4596  0.7704  1.0
  Ho  Ho2  4  0.2330  0.2548  0.0692  1.0
  Ho  Ho3  4  0.4190  0.1751  0.7361  1.0
  Ni  Ni4  4  0.0242  0.8329  0.0591  1.0
  Ni  Ni5  4  0.4285  0.0904  0.3777  1.0
  Hg  Hg6  4  0.4176  0.3681  0.5788  1.0
]