data_[Ni4Mo2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0658]
_cell_length_b [2.7373]
_cell_length_c [4.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni2MoAu]
_chemical_formula_sum '[Ni4 Mo2 Au2]'
_cell_volume [110.3751]
_cell_formula_units_Z [2]
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
[
  Ni  Ni0  2  0.2590  0.0000  0.7520  1
  Ni  Ni1  2  0.4949  0.5000  0.0128  1
  Mo  Mo2  2  0.2420  0.5000  0.2178  1
  Au  Au3  2  0.0041  0.5000  0.5174  1
]