data_[Nd4Ti4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2644]
_cell_length_b [9.6331]
_cell_length_c [5.2474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Ti2O7]
_chemical_formula_sum '[Nd4 Ti4 O14]'
_cell_volume [359.3545]
_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  0.0000  0.3059  0.0000  1.0
  Ti  Ti1  4  0.2327  0.0000  0.4095  1.0
  O  O2  8  0.2391  0.1570  0.2138  1.0
  O  O3  4  0.0956  0.5000  0.2794  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]