data_[Y4Al8Cu4]
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 [Cmcm]
_cell_length_a [3.8071]
_cell_length_b [18.6116]
_cell_length_c [4.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YAl2Cu]
_chemical_formula_sum '[Y4 Al8 Cu4]'
_cell_volume [303.8677]
_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  4  0.0000  0.1074  0.7500  1.0
  Al  Al1  4  0.0000  0.2538  0.2500  1.0
  Al  Al2  4  0.0000  0.4630  0.7500  1.0
  Cu  Cu3  4  0.0000  0.3316  0.7500  1.0
]