data_[Na2Bi1Au1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1219]
_cell_length_b [7.1321]
_cell_length_c [7.6644]
_cell_angle_alpha [92.4306]
_cell_angle_beta [113.7253]
_cell_angle_gamma [118.9226]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2BiAuCl6]
_chemical_formula_sum '[Na2 Bi1 Au1 Cl6]'
_cell_volume [297.9973]
_cell_formula_units_Z [1]
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  1  0.0701  0.5126  0.5898  1.0
  Na  Na1  1  0.9913  0.9954  0.0145  1.0
  Bi  Bi2  1  0.6447  0.3097  0.9815  1.0
  Au  Au3  1  0.6452  0.8874  0.2734  1.0
  Cl  Cl4  1  0.0876  0.3875  0.2410  1.0
  Cl  Cl5  1  0.1900  0.2376  0.7878  1.0
  Cl  Cl6  1  0.4872  0.1055  0.2664  1.0
  Cl  Cl7  1  0.5296  0.9352  0.7652  1.0
  Cl  Cl8  1  0.8215  0.5706  0.7809  1.0
  Cl  Cl9  1  0.8558  0.7201  0.2844  1.0
]