data_[Y3Al6Ni9]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.0265]
_cell_length_b [9.0265]
_cell_length_c [3.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [YAl2Ni3]
_chemical_formula_sum '[Y3 Al6 Ni9]'
_cell_volume [275.1628]
_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  2  0.3333  0.6667  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Al  Al2  6  0.1891  0.3783  0.0000  1.0
  Ni  Ni3  6  0.0000  0.2934  0.5000  1.0
  Ni  Ni4  3  0.0000  0.5000  0.0000  1.0
]