data_[Y6Al3Cu48]
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 [R3m]
_cell_length_a [8.5625]
_cell_length_b [8.5625]
_cell_length_c [12.5873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y2AlCu16]
_chemical_formula_sum '[Y6 Al3 Cu48]'
_cell_volume [799.2129]
_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  3  0.0000  0.0000  0.3505  1
  Y  Y1  3  0.0000  0.0000  0.6595  1
  Al  Al2  3  0.0000  0.0000  0.0974  1
  Cu  Cu3  18  0.0001  0.2966  0.9989  1
  Cu  Cu4  9  0.1668  0.3336  0.4865  1
  Cu  Cu5  9  0.1670  0.3339  0.1804  1
  Cu  Cu6  9  0.1673  0.3346  0.8325  1
  Cu  Cu7  3  0.0000  0.0000  0.9012  1
]