data_[La4Ni4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4656]
_cell_length_b [4.0463]
_cell_length_c [4.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaNiAu]
_chemical_formula_sum '[La4 Ni4 Au4]'
_cell_volume [265.8279]
_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
[
  La  La0  4  0.1090  0.0000  0.8227  1.0
  Ni  Ni1  4  0.0370  0.5000  0.2711  1.0
  Au  Au2  4  0.1948  0.5000  0.3792  1.0
]