data_[Ti1Fe1Bi2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9906]
_cell_length_b [5.4255]
_cell_length_c [5.4365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TiFe(BiO3)2]
_chemical_formula_sum '[Ti1 Fe1 Bi2 O6]'
_cell_volume [147.0311]
_cell_formula_units_Z [1]
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  0.5906  0.5000  0.4886  1.0
  Fe  Fe1  1  0.5616  0.0000  0.0026  1.0
  Bi  Bi2  1  0.0061  0.0000  0.5652  1.0
  Bi  Bi3  1  0.9846  0.5000  0.0325  1.0
  O  O4  2  0.7226  0.2617  0.2551  1.0
  O  O5  2  0.7254  0.2597  0.7405  1.0
  O  O6  1  0.1738  0.0000  0.9489  1.0
  O  O7  1  0.2339  0.5000  0.4709  1.0
]