data_[Nd12O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5459]
_cell_length_b [3.7072]
_cell_length_c [9.0574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2O3]
_chemical_formula_sum '[Nd12 O18]'
_cell_volume [480.7585]
_cell_formula_units_Z [6]
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  0.0332  0.0000  0.8117  1.0
  Nd  Nd1  4  0.1345  0.5000  0.4898  1.0
  Nd  Nd2  4  0.1907  0.5000  0.1379  1.0
  O  O3  4  0.0262  0.5000  0.6560  1.0
  O  O4  4  0.1292  0.0000  0.2856  1.0
  O  O5  4  0.1753  0.0000  0.9734  1.0
  O  O6  4  0.2019  0.0000  0.6269  1.0
  O  O7  2  0.0000  0.5000  0.0000  1.0
]