data_[Ho12Sc8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3970]
_cell_length_b [6.0210]
_cell_length_c [8.8383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho3Sc2]
_chemical_formula_sum '[Ho12 Sc8]'
_cell_volume [569.3854]
_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  0.1947  0.1680  0.6492  1.0
  Ho  Ho1  4  0.0000  0.1755  0.2500  1.0
  Sc  Sc2  8  0.1020  0.3353  0.9508  1.0
]