data_[Na2Bi2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6196]
_cell_length_b [5.7090]
_cell_length_c [6.9873]
_cell_angle_alpha [97.5711]
_cell_angle_beta [91.0146]
_cell_angle_gamma [113.8388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaBiAu]
_chemical_formula_sum '[Na2 Bi2 Au2]'
_cell_volume [166.5756]
_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
[
  Na  Na0  2  0.1500  0.7886  0.6407  1.0
  Bi  Bi1  2  0.1194  0.7599  0.1324  1.0
  Au  Au2  2  0.4417  0.3760  0.6622  1.0
]