data_[Ho12Sc1Al3]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7572]
_cell_length_b [4.7572]
_cell_length_c [19.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho12ScAl3]
_chemical_formula_sum '[Ho12 Sc1 Al3]'
_cell_volume [435.9138]
_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  4  0.0000  0.5000  0.1303  1
  Ho  Ho1  4  0.0000  0.5000  0.3770  1
  Ho  Ho2  2  0.5000  0.5000  0.2542  1
  Ho  Ho3  1  0.5000  0.5000  0.0000  1
  Ho  Ho4  1  0.5000  0.5000  0.5000  1
  Sc  Sc5  1  0.0000  0.0000  0.0000  1
  Al  Al6  2  0.0000  0.0000  0.2557  1
  Al  Al7  1  0.0000  0.0000  0.5000  1
]