data_[Ti6Ni6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0647]
_cell_length_b [5.4928]
_cell_length_c [12.6031]
_cell_angle_alpha [93.1123]
_cell_angle_beta [90.2589]
_cell_angle_gamma [117.2097]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TiNiO3]
_chemical_formula_sum '[Ti6 Ni6 O18]'
_cell_volume [311.1853]
_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
[
  Ti  Ti0  1  0.1404  0.2823  0.7175  1
  Ti  Ti1  1  0.4646  0.9434  0.3811  1
  Ti  Ti2  1  0.4842  0.9423  0.8913  1
  Ti  Ti3  1  0.5232  0.0402  0.6175  1
  Ti  Ti4  1  0.8324  0.6106  0.0491  1
  Ti  Ti5  1  0.8473  0.7119  0.2854  1
  Ni  Ni6  1  0.1306  0.2698  0.2167  1
  Ni  Ni7  1  0.1920  0.3912  0.4516  1
  Ni  Ni8  1  0.1971  0.3915  0.9514  1
  Ni  Ni9  1  0.5379  0.0659  0.1177  1
  Ni  Ni10  1  0.7929  0.5921  0.5500  1
  Ni  Ni11  1  0.8636  0.7260  0.7815  1
  O  O12  1  0.0345  0.6795  0.9209  1
  O  O13  1  0.0857  0.8881  0.1459  1
  O  O14  1  0.1153  0.5743  0.3188  1
  O  O15  1  0.2050  0.0874  0.3515  1
  O  O16  1  0.2438  0.7723  0.5235  1
  O  O17  1  0.3176  0.9995  0.7506  1
  O  O18  1  0.3504  0.3189  0.5918  1
  O  O19  1  0.4171  0.5544  0.8087  1
  O  O20  1  0.4726  0.2215  0.9747  1
  O  O21  1  0.5555  0.7633  0.0130  1
  O  O22  1  0.5758  0.4514  0.1867  1
  O  O23  1  0.6339  0.6612  0.4105  1
  O  O24  1  0.6860  0.9949  0.2590  1
  O  O25  1  0.7416  0.2097  0.4813  1
  O  O26  1  0.7876  0.9017  0.6470  1
  O  O27  1  0.8773  0.4196  0.6840  1
  O  O28  1  0.8785  0.0935  0.8488  1
  O  O29  1  0.9671  0.3449  0.0848  1
]