data_[Na4Bi4Au6]
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 [C2/m]
_cell_length_a [12.1536]
_cell_length_b [4.6870]
_cell_length_c [7.6928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Bi2Au3]
_chemical_formula_sum '[Na4 Bi4 Au6]'
_cell_volume [374.6689]
_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  4  0.1354  0.0000  0.7491  1.0
  Bi  Bi1  4  0.1455  0.0000  0.2461  1.0
  Au  Au2  4  0.0806  0.5000  0.4251  1.0
  Au  Au3  2  0.0000  0.5000  0.0000  1.0
]