data_[Y16Al4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [8.7542]
_cell_length_b [13.6843]
_cell_length_c [5.6678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4AlCu]
_chemical_formula_sum '[Y16 Al4 Cu4]'
_cell_volume [630.3842]
_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
[
  Y  Y0  8  0.1171  0.1834  0.0717  1.0
  Y  Y1  8  0.2056  0.4253  0.3366  1.0
  Al  Al2  4  0.0000  0.3776  0.7500  1.0
  Cu  Cu3  4  0.0000  0.0005  0.2500  1.0
]