data_[Ti2Nb2Bi6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8704]
_cell_length_b [3.8704]
_cell_length_c [25.4233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [TiNb(BiO3)3]
_chemical_formula_sum '[Ti2 Nb2 Bi6 O18]'
_cell_volume [380.8485]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.5888  1.0
  Nb  Nb1  2  0.0000  0.0000  0.4128  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0121  1.0
  Bi  Bi3  2  0.0000  0.0000  0.1984  1.0
  Bi  Bi4  2  0.0000  0.0000  0.7985  1.0
  O  O5  4  0.0000  0.5000  0.0740  1.0
  O  O6  4  0.0000  0.5000  0.2483  1.0
  O  O7  4  0.0000  0.5000  0.4239  1.0
  O  O8  2  0.0000  0.0000  0.3373  1.0
  O  O9  2  0.0000  0.0000  0.5003  1.0
  O  O10  2  0.0000  0.0000  0.6594  1.0
]