data_[Ba14Bi4Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4039]
_cell_length_b [5.4039]
_cell_length_c [30.0072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba7Bi2AuO2]
_chemical_formula_sum '[Ba14 Bi4 Au2 O4]'
_cell_volume [876.2833]
_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
[
  Ba  Ba0  8  0.0000  0.5000  0.0943  1.0
  Ba  Ba1  4  0.0000  0.0000  0.2988  1.0
  Ba  Ba2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.0000  0.1791  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.0000  0.4079  1.0
]