data_[Nd44Ti64O192]
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 [Amm2]
_cell_length_a [64.0986]
_cell_length_b [7.7018]
_cell_length_c [7.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd11Ti16O48]
_chemical_formula_sum '[Nd44 Ti64 O192]'
_cell_volume [3841.3562]
_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  4  0.0652  0.0000  0.7460  1
  Nd  Nd1  4  0.0659  0.0000  0.2519  1
  Nd  Nd2  4  0.1287  0.0000  0.7484  1
  Nd  Nd3  4  0.1893  0.0000  0.7489  1
  Nd  Nd4  4  0.1899  0.0000  0.2499  1
  Nd  Nd5  4  0.2558  0.0000  0.2512  1
  Nd  Nd6  4  0.3191  0.0000  0.2593  1
  Nd  Nd7  4  0.3195  0.0000  0.7459  1
  Nd  Nd8  4  0.4395  0.0000  0.7476  1
  Nd  Nd9  4  0.4395  0.0000  0.2520  1
  Nd  Nd10  2  0.0000  0.0000  0.2499  1
  Nd  Nd11  2  0.0000  0.0000  0.7445  1
  Ti  Ti12  8  0.0316  0.2482  0.0006  1
  Ti  Ti13  8  0.0967  0.2485  0.0027  1
  Ti  Ti14  8  0.1569  0.2457  0.5000  1
  Ti  Ti15  8  0.2216  0.2485  0.9968  1
  Ti  Ti16  8  0.2832  0.2462  0.5002  1
  Ti  Ti17  8  0.3506  0.2471  0.0022  1
  Ti  Ti18  8  0.4080  0.2464  0.4979  1
  Ti  Ti19  8  0.4719  0.2496  0.5000  1
  O  O20  8  0.0298  0.2369  0.7508  1
  O  O21  8  0.0615  0.1922  0.4999  1
  O  O22  8  0.0900  0.2438  0.2532  1
  O  O23  8  0.1245  0.2035  0.9897  1
  O  O24  8  0.1563  0.2220  0.7487  1
  O  O25  8  0.1855  0.1939  0.4944  1
  O  O26  8  0.2139  0.2445  0.7423  1
  O  O27  8  0.2482  0.2046  0.0065  1
  O  O28  8  0.2804  0.2230  0.2517  1
  O  O29  8  0.3106  0.2011  0.5047  1
  O  O30  8  0.3409  0.2497  0.7526  1
  O  O31  8  0.3765  0.2122  0.0015  1
  O  O32  8  0.4109  0.2497  0.2507  1
  O  O33  8  0.4377  0.2013  0.5006  1
  O  O34  8  0.4651  0.2499  0.2503  1
  O  O35  4  0.0000  0.1899  0.0014  1
  O  O36  4  0.0232  0.0000  0.4914  1
  O  O37  4  0.0392  0.0000  0.0139  1
  O  O38  4  0.0872  0.0000  0.9932  1
  O  O39  4  0.0986  0.0000  0.5318  1
  O  O40  4  0.1497  0.0000  0.4941  1
  O  O41  4  0.1635  0.0000  0.0084  1
  O  O42  4  0.2110  0.0000  0.9998  1
  O  O43  4  0.2220  0.0000  0.4650  1
  O  O44  4  0.2743  0.0000  0.5077  1
  O  O45  4  0.2867  0.0000  0.9926  1
  O  O46  4  0.3384  0.0000  0.0030  1
  O  O47  4  0.3447  0.0000  0.5018  1
  O  O48  4  0.4039  0.0000  0.5009  1
  O  O49  4  0.4147  0.0000  0.0004  1
  O  O50  4  0.4622  0.0000  0.0001  1
  O  O51  4  0.4708  0.0000  0.5003  1
  O  O52  4  0.5000  0.2154  0.0002  1
]