data_[Tb2Au2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4961]
_cell_length_b [6.8579]
_cell_length_c [5.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbAuO3]
_chemical_formula_sum '[Tb2 Au2 O6]'
_cell_volume [135.0465]
_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
[
  Tb  Tb0  2  0.2566  0.2500  0.5104  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.2393  0.5560  0.3277  1.0
  O  O3  2  0.1773  0.7500  0.8390  1.0
]