data_[Zr4In4Au4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6371]
_cell_length_b [3.2418]
_cell_length_c [10.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ZrInAuO3]
_chemical_formula_sum '[Zr4 In4 Au4 O12]'
_cell_volume [355.0061]
_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
[
  Zr  Zr0  4  0.0321  0.2500  0.1407  1
  In  In1  4  0.2270  0.7500  0.3895  1
  Au  Au2  4  0.0944  0.2500  0.5574  1
  O  O3  4  0.0785  0.2500  0.7928  1
  O  O4  4  0.1030  0.7500  0.0234  1
  O  O5  4  0.1836  0.2500  0.2556  1
]