data_[Nd8Au4O2]
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 [6.9599]
_cell_length_b [7.2283]
_cell_length_c [7.9969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1959]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd4Au2O]
_chemical_formula_sum '[Nd8 Au4 O2]'
_cell_volume [386.3447]
_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  4  0.4938  0.5077  0.2503  1.0
  Nd  Nd1  2  0.0629  0.7500  0.3797  1.0
  Nd  Nd2  2  0.0834  0.7500  0.9055  1.0
  Au  Au3  2  0.2653  0.2500  0.4347  1.0
  Au  Au4  2  0.2783  0.2500  0.9525  1.0
  O  O5  2  0.2614  0.7500  0.1929  1.0
]