data_[Ho2Sc10Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9958]
_cell_length_b [7.1867]
_cell_length_c [14.9973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [HoSc5Hg6]
_chemical_formula_sum '[Ho2 Sc10 Hg12]'
_cell_volume [538.4545]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.0000  0.3317  1
  Sc  Sc2  4  0.0000  0.5000  0.3352  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Hg  Hg4  8  0.0000  0.2569  0.1700  1
  Hg  Hg5  4  0.0000  0.2364  0.5000  1
]