data_[Nd8Ru12O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [8.9721]
_cell_length_b [8.9721]
_cell_length_c [8.9721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Nd4Ru6O19]
_chemical_formula_sum '[Nd8 Ru12 O38]'
_cell_volume [722.2461]
_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  8  0.1599  0.1599  0.1599  1
  Ru  Ru1  12  0.0000  0.1373  0.5000  1
  O  O2  24  0.0341  0.2828  0.6614  1
  O  O3  12  0.0000  0.0000  0.3228  1
  O  O4  2  0.0000  0.0000  0.0000  1
]