data_[Ho16Al4Cu4]
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 [C2/c]
_cell_length_a [8.6860]
_cell_length_b [13.5387]
_cell_length_c [5.5999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4AlCu]
_chemical_formula_sum '[Ho16 Al4 Cu4]'
_cell_volume [616.1399]
_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  0.1157  0.1827  0.0680  1.0
  Ho  Ho1  8  0.2052  0.4238  0.3441  1.0
  Al  Al2  4  0.0000  0.3784  0.7500  1.0
  Cu  Cu3  4  0.0000  0.0001  0.2500  1.0
]