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 [P2_1/c]
_cell_length_a [6.3772]
_cell_length_b [5.5513]
_cell_length_c [7.7451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaNiAu]
_chemical_formula_sum '[La4 Ni4 Au4]'
_cell_volume [255.0776]
_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  0.1940  0.1114  0.8756  1.0
  Ni  Ni1  4  0.1689  0.6165  0.0258  1.0
  Au  Au2  4  0.4065  0.5931  0.7988  1.0
]