data_[Ho4Sc12Al4]
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 [Cmcm]
_cell_length_a [3.2617]
_cell_length_b [15.6206]
_cell_length_c [10.2218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoSc3Al]
_chemical_formula_sum '[Ho4 Sc12 Al4]'
_cell_volume [520.7917]
_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  4  0.0000  0.4904  0.7500  1
  Sc  Sc1  8  0.0000  0.3422  0.0131  1
  Sc  Sc2  4  0.0000  0.1987  0.2500  1
  Al  Al3  4  0.0000  0.1502  0.7500  1
]