data_[Ho12Al4Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0797]
_cell_length_b [9.9277]
_cell_length_c [13.1210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3AlNi3]
_chemical_formula_sum '[Ho12 Al4 Ni12]'
_cell_volume [531.4357]
_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  8  0.0000  0.2114  0.6045  1
  Ho  Ho1  4  0.0000  0.4940  0.7500  1
  Al  Al2  4  0.0000  0.5000  0.0000  1
  Ni  Ni3  8  0.0000  0.0774  0.0892  1
  Ni  Ni4  4  0.0000  0.2105  0.2500  1
]