data_[Y6Al4Cu8]
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/m]
_cell_length_a [10.5992]
_cell_length_b [4.3040]
_cell_length_c [8.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(AlCu2)2]
_chemical_formula_sum '[Y6 Al4 Cu8]'
_cell_volume [346.9459]
_cell_formula_units_Z [2]
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  0.1375  0.5000  0.6951  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1615  0.5000  0.3314  1.0
  Cu  Cu3  4  0.0855  0.0000  0.4183  1.0
  Cu  Cu4  4  0.2257  0.5000  0.0671  1.0
]