data_[Y9Al3Ni24]
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 [R3m]
_cell_length_a [4.9979]
_cell_length_b [4.9979]
_cell_length_c [24.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3AlNi8]
_chemical_formula_sum '[Y9 Al3 Ni24]'
_cell_volume [530.3657]
_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  0.3769  1.0
  Y  Y1  3  0.0000  0.0000  0.5051  1.0
  Y  Y2  3  0.0000  0.0000  0.9926  1.0
  Al  Al3  3  0.0000  0.0000  0.8692  1.0
  Ni  Ni4  9  0.0019  0.5009  0.9364  1.0
  Ni  Ni5  9  0.0031  0.5016  0.4400  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1887  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6885  1.0
]