data_[Na8Bi8Au4]
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 [11.5800]
_cell_length_b [4.7691]
_cell_length_c [11.8529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Bi2Au]
_chemical_formula_sum '[Na8 Bi8 Au4]'
_cell_volume [590.6186]
_cell_formula_units_Z [4]
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  0.0067  0.0000  0.6808  1.0
  Na  Na1  4  0.1824  0.0000  0.1201  1.0
  Bi  Bi2  4  0.0312  0.5000  0.8888  1.0
  Bi  Bi3  4  0.1513  0.5000  0.5498  1.0
  Au  Au4  4  0.2115  0.5000  0.3204  1.0
]