data_[Ni8Sn4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3561]
_cell_length_b [4.2586]
_cell_length_c [7.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2SnAu]
_chemical_formula_sum '[Ni8 Sn4 Au4]'
_cell_volume [248.8982]
_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
[
  Ni  Ni0  4  0.1694  0.0000  0.7010  1.0
  Ni  Ni1  4  0.2258  0.0000  0.0619  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  4  0.1268  0.0000  0.3232  1.0
]