data_[Ba10Nd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.7574]
_cell_length_b [11.6973]
_cell_length_c [6.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5NdO6]
_chemical_formula_sum '[Ba10 Nd2 O12]'
_cell_volume [500.8713]
_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
[
  Ba  Ba0  4  0.0000  0.1656  0.5000  1.0
  Ba  Ba1  4  0.0000  0.3329  0.0000  1.0
  Ba  Ba2  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2254  0.1491  0.2271  1.0
  O  O5  4  0.2214  0.0000  0.7669  1.0
]