data_[Ho15Al45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0803]
_cell_length_b [6.0803]
_cell_length_c [35.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoAl3]
_chemical_formula_sum '[Ho15 Al45]'
_cell_volume [1151.9392]
_cell_formula_units_Z [15]
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  6  0.0000  0.0000  0.1310  1.0
  Ho  Ho1  6  0.0000  0.0000  0.4001  1.0
  Ho  Ho2  3  0.0000  0.0000  0.0000  1.0
  Al  Al3  18  0.0029  0.5014  0.8662  1.0
  Al  Al4  18  0.0340  0.5170  0.3996  1.0
  Al  Al5  9  0.0000  0.5000  0.0000  1.0
]