data_[Ho3Hf9Al24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3408]
_cell_length_b [5.3408]
_cell_length_c [26.2430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HoHf3Al8]
_chemical_formula_sum '[Ho3 Hf9 Al24]'
_cell_volume [648.2822]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8750  1.0
  Hf  Hf1  3  0.0000  0.0000  0.0013  1.0
  Hf  Hf2  3  0.0000  0.0000  0.3756  1.0
  Hf  Hf3  3  0.0000  0.0000  0.4974  1.0
  Al  Al4  9  0.0008  0.5004  0.9392  1.0
  Al  Al5  9  0.1674  0.3349  0.7694  1.0
  Al  Al6  3  0.0000  0.0000  0.1871  1.0
  Al  Al7  3  0.0000  0.0000  0.6877  1.0
]