data_[K4Ta4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8527]
_cell_length_b [3.0860]
_cell_length_c [10.8290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTaAuO3]
_chemical_formula_sum '[K4 Ta4 Au4 O12]'
_cell_volume [396.0971]
_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
[
  K  K0  4  0.2399  0.2500  0.4030  1
  Ta  Ta1  4  0.0416  0.7500  0.1345  1
  Au  Au2  4  0.0367  0.7500  0.5928  1
  O  O3  4  0.0504  0.7500  0.8007  1
  O  O4  4  0.0926  0.2500  0.0187  1
  O  O5  4  0.1659  0.7500  0.2281  1
]