data_NaTi2BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2BiO6
_chemical_formula_sum   'Na1 Ti2 Bi1 O6'
_cell_volume   126.9
_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
  Na  Na0  1  0.0  0.0  0.84  1.0
  Ti  Ti1  1  0.93  0.95  0.13  1.0
  Ti  Ti2  1  0.93  0.05  0.13  1.0
  Bi  Bi3  1  0.85  0.0  0.64  1.0
  O  O4  1  0.93  0.95  0.37  1.0
  O  O5  1  0.93  0.05  0.37  1.0
  O  O6  1  0.65  0.0  0.27  1.0
  O  O7  1  0.05  0.0  0.27  1.0
  O  O8  1  0.85  0.95  0.33  1.0
  O  O9  1  0.85  0.05  0.33  1.0

data_NaTi2BiO6
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.23
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaTi2BiO6
_chemical_formula_sum   'Na1 Ti2 Bi1 O6'
_cell_volume   126.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.84  0.0  0.0  1.0
  Ti  Ti1  2  0.13  0.05  0.93  1.0
  Bi  Bi2  1  0.64  0.0  0.85  1.0
  O  O3  2  0.33  0.05  0.85  1.0
  O  O4  2  0.37  0.05  0.93  1.0
  O  O5  1  0.27  0.0  0.05  1.0
  O  O6  1  0.27  0.0  0.65  1.0

Na Ti Ti Bi O O O O O O