data_[Y4Al4Ni4]
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 [Pbcm]
_cell_length_a [5.4293]
_cell_length_b [7.5391]
_cell_length_c [5.3185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YAlNi]
_chemical_formula_sum '[Y4 Al4 Ni4]'
_cell_volume [217.6968]
_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  4  0.3531  0.5992  0.2500  1.0
  Al  Al1  4  0.1264  0.2500  0.0000  1.0
  Ni  Ni2  4  0.1401  0.5340  0.7500  1.0
]