data_[Nd2Au2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [3.7204]
_cell_length_b [7.0188]
_cell_length_c [5.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdAuO3]
_chemical_formula_sum '[Nd2 Au2 O6]'
_cell_volume [151.7670]
_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
[
  Nd  Nd0  2  0.2476  0.2500  0.5239  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.2167  0.5552  0.3320  1.0
  O  O3  2  0.1517  0.7500  0.8649  1.0
]