data_[Ba4Na4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5149]
_cell_length_b [12.9719]
_cell_length_c [10.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaNaAuO3]
_chemical_formula_sum '[Ba4 Na4 Au4 O12]'
_cell_volume [488.5058]
_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
[
  Ba  Ba0  4  0.0000  0.1999  0.2500  1
  Na  Na1  4  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.0000  0.4664  0.2500  1
  O  O3  8  0.0000  0.4094  0.6178  1
  O  O4  4  0.0000  0.1342  0.7500  1
]