data_[Y16Al4Ni4]
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 [C2/c]
_cell_length_a [8.6571]
_cell_length_b [12.4683]
_cell_length_c [6.1701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4AlNi]
_chemical_formula_sum '[Y16 Al4 Ni4]'
_cell_volume [637.0753]
_cell_formula_units_Z [4]
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  8  0.1103  0.1665  0.0423  1.0
  Y  Y1  8  0.2055  0.4146  0.4036  1.0
  Al  Al2  4  0.0000  0.3758  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0022  0.2500  1.0
]