data_[Ti1Bi2H1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5821]
_cell_length_b [5.6440]
_cell_length_c [6.1009]
_cell_angle_alpha [117.0930]
_cell_angle_beta [90.6636]
_cell_angle_gamma [118.2635]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TiBi2HO6]
_chemical_formula_sum '[Ti1 Bi2 H1 O6]'
_cell_volume [144.2489]
_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  0.3318  0.6488  0.9561  1.0
  Bi  Bi1  1  0.0225  0.0275  0.0524  1.0
  Bi  Bi2  1  0.5442  0.0694  0.5773  1.0
  H  H3  1  0.6063  0.5262  0.2774  1.0
  O  O4  1  0.0147  0.2306  0.8069  1.0
  O  O5  1  0.1739  0.8388  0.2409  1.0
  O  O6  1  0.2326  0.7958  0.7804  1.0
  O  O7  1  0.4387  0.5394  0.2599  1.0
  O  O8  1  0.6005  0.5665  0.7975  1.0
  O  O9  1  0.6963  0.0803  0.2362  1.0
]