data_[Nb3Ag3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9671]
_cell_length_b [2.9671]
_cell_length_c [28.5215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NbAgAu2]
_chemical_formula_sum '[Nb3 Ag3 Au6]'
_cell_volume [217.4580]
_cell_formula_units_Z [3]
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
[
  Nb  Nb0  3  0.0000  0.0000  0.5001  1.0
  Ag  Ag1  3  0.0000  0.0000  0.3332  1.0
  Au  Au2  3  0.0000  0.0000  0.7517  1.0
  Au  Au3  3  0.0000  0.0000  0.9151  1.0
]