data_[Er24Al28Cu64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2310]
_cell_length_b [12.2310]
_cell_length_c [12.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Er6Al7Cu16]
_chemical_formula_sum '[Er24 Al28 Cu64]'
_cell_volume [1829.7460]
_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
[
  Er  Er0  24  0.0000  0.0000  0.2885  1
  Al  Al1  24  0.0000  0.2500  0.2500  1
  Al  Al2  4  0.0000  0.0000  0.0000  1
  Cu  Cu3  32  0.1215  0.1215  0.1215  1
  Cu  Cu4  32  0.1724  0.1724  0.3276  1
]