data_[Ho16Fe4Hg4]
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 [C2/c]
_cell_length_a [8.5192]
_cell_length_b [12.4443]
_cell_length_c [6.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4FeHg]
_chemical_formula_sum '[Ho16 Fe4 Hg4]'
_cell_volume [623.2911]
_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  0.1042  0.1647  0.0404  1.0
  Ho  Ho1  8  0.2172  0.4199  0.4034  1.0
  Fe  Fe2  4  0.0000  0.0014  0.2500  1.0
  Hg  Hg3  4  0.0000  0.3713  0.7500  1.0
]