data_[Na4Re4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Re  1.9000  1.3500  0.7125
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3250]
_cell_length_b [2.7722]
_cell_length_c [10.8608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaReAuO3]
_chemical_formula_sum '[Na4 Re4 Au4 O12]'
_cell_volume [310.8632]
_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  0.2283  0.2500  0.1278  1
  Re  Re1  4  0.0380  0.7500  0.3941  1
  Au  Au2  4  0.0603  0.7500  0.9081  1
  O  O3  4  0.0609  0.7500  0.7023  1
  O  O4  4  0.1414  0.2500  0.4992  1
  O  O5  4  0.1679  0.7500  0.2835  1
]