data_[Y6Al9Ga3Cu36]
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
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4131]
_cell_length_b [5.4131]
_cell_length_c [33.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Al3GaCu12]
_chemical_formula_sum '[Y6 Al9 Ga3 Cu36]'
_cell_volume [857.6594]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3575  1
  Al  Al1  9  0.0000  0.5000  0.5000  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Cu  Cu3  18  0.0046  0.5023  0.3897  1
  Cu  Cu4  18  0.0273  0.5136  0.1108  1
]