data_[Nd12Ru4O24]
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 [Cmc2_1]
_cell_length_a [9.1629]
_cell_length_b [11.3980]
_cell_length_c [5.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd3RuO6]
_chemical_formula_sum '[Nd12 Ru4 O24]'
_cell_volume [598.3561]
_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
[
  Nd  Nd0  8  0.1934  0.1022  0.0384  1
  Nd  Nd1  4  0.0000  0.3970  0.0884  1
  Ru  Ru2  4  0.0000  0.1958  0.5184  1
  O  O3  8  0.1578  0.4845  0.8107  1
  O  O4  8  0.1584  0.2588  0.3114  1
  O  O5  4  0.0000  0.0419  0.3250  1
  O  O6  4  0.0000  0.2165  0.8479  1
]