data_[Ho4Al12Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2326]
_cell_length_b [4.0622]
_cell_length_c [10.7033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HoAl3Cu]
_chemical_formula_sum '[Ho4 Al12 Cu4]'
_cell_volume [357.9439]
_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  0.1788  0.2500  0.9969  1.0
  Al  Al1  4  0.0616  0.2500  0.4104  1.0
  Al  Al2  4  0.1104  0.7500  0.2121  1.0
  Al  Al3  4  0.1432  0.7500  0.7840  1.0
  Cu  Cu4  4  0.1099  0.2500  0.6382  1.0
]