data_[Dy40Ti24O108]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5956]
_cell_length_b [7.3581]
_cell_length_c [24.2686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Dy10Ti6O27]
_chemical_formula_sum '[Dy40 Ti24 O108]'
_cell_volume [2219.6710]
_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
[
  Dy  Dy0  4  0.1121  0.2611  0.1128  1
  Dy  Dy1  4  0.1165  0.2319  0.6339  1
  Dy  Dy2  4  0.3555  0.2557  0.8796  1
  Dy  Dy3  4  0.3789  0.2434  0.3727  1
  Dy  Dy4  4  0.4854  0.2346  0.2438  1
  Dy  Dy5  2  0.0020  0.0000  0.9977  1
  Dy  Dy6  2  0.0139  0.0000  0.5061  1
  Dy  Dy7  2  0.0224  0.5000  0.4964  1
  Dy  Dy8  2  0.1159  0.0000  0.8753  1
  Dy  Dy9  2  0.1175  0.5000  0.3637  1
  Dy  Dy10  2  0.1231  0.0000  0.3797  1
  Dy  Dy11  2  0.2469  0.5000  0.7510  1
  Dy  Dy12  2  0.2477  0.5000  0.2348  1
  Dy  Dy13  2  0.2667  0.0000  0.7559  1
  Dy  Dy14  2  0.3790  0.0000  0.6384  1
  Ti  Ti15  4  0.2390  0.2478  0.9986  1
  Ti  Ti16  4  0.2515  0.2529  0.4922  1
  Ti  Ti17  4  0.4970  0.2546  0.7526  1
  Ti  Ti18  2  0.1221  0.5000  0.8741  1
  Ti  Ti19  2  0.2441  0.0000  0.2460  1
  Ti  Ti20  2  0.3588  0.5000  0.6155  1
  Ti  Ti21  2  0.3720  0.0000  0.1185  1
  Ti  Ti22  2  0.3946  0.5000  0.1354  1
  Ti  Ti23  2  0.4903  0.0000  0.9930  1
  O  O24  4  0.0352  0.2335  0.3351  1
  O  O25  4  0.0552  0.3127  0.8280  1
  O  O26  4  0.0886  0.2950  0.0159  1
  O  O27  4  0.0977  0.2613  0.5403  1
  O  O28  4  0.1417  0.2528  0.7304  1
  O  O29  4  0.1555  0.1852  0.2080  1
  O  O30  4  0.1964  0.2777  0.9167  1
  O  O31  4  0.2205  0.2631  0.4096  1
  O  O32  4  0.2689  0.1698  0.0785  1
  O  O33  4  0.3110  0.2882  0.5769  1
  O  O34  4  0.3329  0.2794  0.2820  1
  O  O35  4  0.3568  0.7319  0.7793  1
  O  O36  4  0.3824  0.2013  0.9812  1
  O  O37  4  0.3921  0.2316  0.4855  1
  O  O38  4  0.4451  0.2493  0.1451  1
  O  O39  4  0.4505  0.2732  0.6685  1
  O  O40  2  0.0041  0.0000  0.5964  1
  O  O41  2  0.0238  0.0000  0.0898  1
  O  O42  2  0.0242  0.0000  0.7748  1
  O  O43  2  0.0965  0.5000  0.2690  1
  O  O44  2  0.1710  0.0000  0.9775  1
  O  O45  2  0.1922  0.0000  0.4849  1
  O  O46  2  0.2007  0.5000  0.4844  1
  O  O47  2  0.2213  0.5000  0.6538  1
  O  O48  2  0.2234  0.0000  0.6574  1
  O  O49  2  0.2393  0.5000  0.1391  1
  O  O50  2  0.2506  0.0000  0.3241  1
  O  O51  2  0.2549  0.5000  0.8440  1
  O  O52  2  0.2735  0.0000  0.8467  1
  O  O53  2  0.2742  0.5000  0.0098  1
  O  O54  2  0.3668  0.0000  0.2053  1
  O  O55  2  0.4240  0.5000  0.2116  1
  O  O56  2  0.4393  0.0000  0.7304  1
  O  O57  2  0.4571  0.5000  0.4113  1
  O  O58  2  0.4601  0.5000  0.9059  1
  O  O59  2  0.4746  0.0000  0.4050  1
  O  O60  2  0.4954  0.0000  0.9173  1
  O  O61  2  0.4954  0.0000  0.0833  1
]