data_[Y4Al6Cu4]
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 [10.3372]
_cell_length_b [4.1695]
_cell_length_c [6.8281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Al3Cu2]
_chemical_formula_sum '[Y4 Al6 Cu4]'
_cell_volume [264.1658]
_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  0.1453  0.0000  0.7812  1
  Al  Al1  4  0.1203  0.5000  0.4371  1
  Al  Al2  2  0.0000  0.5000  0.0000  1
  Cu  Cu3  4  0.1414  0.0000  0.2270  1
]