data_[Ho13Sc2]
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 [P-1]
_cell_length_a [6.4708]
_cell_length_b [8.8115]
_cell_length_c [8.8517]
_cell_angle_alpha [65.3996]
_cell_angle_beta [81.2361]
_cell_angle_gamma [81.1986]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ho13Sc2]
_chemical_formula_sum '[Ho13 Sc2]'
_cell_volume [451.2738]
_cell_formula_units_Z [1]
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  0.0949  0.7721  0.4236  1.0
  Ho  Ho1  2  0.1943  0.2003  0.2028  1.0
  Ho  Ho2  2  0.2827  0.6208  0.9814  1.0
  Ho  Ho3  2  0.3092  0.9545  0.6432  1.0
  Ho  Ho4  2  0.3981  0.4007  0.4034  1.0
  Ho  Ho5  2  0.4858  0.1736  0.8382  1.0
  Ho  Ho6  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc7  2  0.1049  0.4460  0.7523  1.0
]