data_[Yb8Al8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5288]
_cell_length_b [5.4017]
_cell_length_c [9.0923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YbAlNi]
_chemical_formula_sum '[Yb8 Al8 Ni8]'
_cell_volume [418.8819]
_cell_formula_units_Z [8]
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
[
  Yb  Yb0  4  0.2083  0.0000  0.6603  1.0
  Yb  Yb1  4  0.3217  0.0000  0.3272  1.0
  Al  Al2  4  0.0000  0.2439  0.9164  1.0
  Al  Al3  2  0.0000  0.0000  0.1637  1.0
  Al  Al4  2  0.5000  0.0000  0.8563  1.0
  Ni  Ni5  4  0.2431  0.0000  0.9981  1.0
  Ni  Ni6  4  0.5000  0.2451  0.5890  1.0
]