data_[Ho10Sc8Hg8]
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 [I4/m]
_cell_length_a [11.6859]
_cell_length_b [11.6859]
_cell_length_c [4.9098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ho5(ScHg)4]
_chemical_formula_sum '[Ho10 Sc8 Hg8]'
_cell_volume [670.4859]
_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  8  0.1191  0.8117  0.5000  1
  Ho  Ho1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0943  0.4023  0.5000  1
  Hg  Hg3  8  0.0861  0.2464  0.0000  1
]