data_[Ni4Ag2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5843]
_cell_length_b [4.0849]
_cell_length_c [6.4975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2AgAu8]
_chemical_formula_sum '[Ni4 Ag2 Au16]'
_cell_volume [370.4983]
_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  4  0.2275  0.0000  0.6360  1
  Ag  Ag1  2  0.0000  0.5000  0.0000  1
  Au  Au2  4  0.0482  0.0000  0.7270  1
  Au  Au3  4  0.1025  0.5000  0.4657  1
  Au  Au4  4  0.1457  0.0000  0.2070  1
  Au  Au5  4  0.1832  0.5000  0.9196  1
]