data_[Ni28Pt2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2815]
_cell_length_b [5.1834]
_cell_length_c [8.7938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ni14PtAu]
_chemical_formula_sum '[Ni28 Pt2 Au2]'
_cell_volume [377.4856]
_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  8  0.2373  0.2473  0.1273  1
  Ni  Ni1  4  0.0000  0.2492  0.9554  1
  Ni  Ni2  4  0.2402  0.0000  0.3716  1
  Ni  Ni3  4  0.2442  0.0000  0.8729  1
  Ni  Ni4  4  0.5000  0.2497  0.7942  1
  Ni  Ni5  2  0.0000  0.0000  0.2067  1
  Ni  Ni6  2  0.0000  0.0000  0.7067  1
  Pt  Pt7  2  0.5000  0.0000  0.0446  1
  Au  Au8  2  0.5000  0.0000  0.5445  1
]