data_[Ho4In4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8493]
_cell_length_b [4.4880]
_cell_length_c [6.5585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoInHg3]
_chemical_formula_sum '[Ho4 In4 Hg12]'
_cell_volume [496.9202]
_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  0.1067  0.5000  0.0616  1
  In  In1  4  0.1957  0.0000  0.8338  1
  Hg  Hg2  4  0.0060  0.0000  0.2423  1
  Hg  Hg3  4  0.0942  0.5000  0.5527  1
  Hg  Hg4  4  0.2063  0.0000  0.3456  1
]