data_[Y4Al6Cu2]
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 [Cm]
_cell_length_a [10.4132]
_cell_length_b [4.4673]
_cell_length_c [7.1871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Y2Al3Cu]
_chemical_formula_sum '[Y4 Al6 Cu2]'
_cell_volume [245.7259]
_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  2  0.0437  0.5000  0.2967  1
  Y  Y1  2  0.4631  0.0000  0.7163  1
  Al  Al2  2  0.1506  0.0000  0.6908  1
  Al  Al3  2  0.1730  0.0000  0.1214  1
  Al  Al4  2  0.3377  0.5000  0.8973  1
  Cu  Cu5  2  0.3319  0.5000  0.2775  1
]