data_[Y4Ni4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9465]
_cell_length_b [4.2401]
_cell_length_c [5.5074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YNiAu]
_chemical_formula_sum '[Y4 Ni4 Au4]'
_cell_volume [231.2926]
_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  2  0.2694  0.0000  0.7026  1
  Y  Y1  2  0.3709  0.5000  0.2151  1
  Ni  Ni2  2  0.1047  0.5000  0.9508  1
  Ni  Ni3  2  0.1687  0.0000  0.1696  1
  Au  Au4  2  0.0892  0.5000  0.4321  1
  Au  Au5  2  0.4773  0.5000  0.7365  1
]