data_[Y4Al1Cu3]
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 [Pmm2]
_cell_length_a [3.7279]
_cell_length_b [4.4808]
_cell_length_c [10.8905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y4AlCu3]
_chemical_formula_sum '[Y4 Al1 Cu3]'
_cell_volume [181.9132]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1532  1.0
  Y  Y1  1  0.0000  0.5000  0.8430  1.0
  Y  Y2  1  0.5000  0.0000  0.6380  1.0
  Y  Y3  1  0.5000  0.5000  0.3647  1.0
  Al  Al4  1  0.5000  0.5000  0.0683  1.0
  Cu  Cu5  1  0.0000  0.0000  0.4331  1.0
  Cu  Cu6  1  0.0000  0.5000  0.5690  1.0
  Cu  Cu7  1  0.5000  0.0000  0.9306  1.0
]