data_CsNaTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNaTiO3
_chemical_formula_sum   'Cs2 Na2 Ti2 O6'
_cell_volume   196.29
_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
  Cs  Cs0  1  0.04  0.35  0.42  1.0
  Cs  Cs1  1  0.04  0.65  0.25  1.0
  Na  Na2  1  0.04  0.16  0.25  1.0
  Na  Na3  1  0.04  0.84  0.42  1.0
  Ti  Ti4  1  0.04  0.86  0.25  1.0
  Ti  Ti5  1  0.04  0.14  0.42  1.0
  O  O6  1  0.04  0.63  0.25  1.0
  O  O7  1  0.28  0.0  0.84  1.0
  O  O8  1  0.8  0.0  0.0  1.0
  O  O9  1  0.28  0.0  0.0  1.0
  O  O10  1  0.8  0.0  0.84  1.0
  O  O11  1  0.04  0.37  0.42  1.0

data_CsNaTiO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.67
_cell_length_b   6.08
_cell_length_c   6.46
_cell_angle_alpha   118.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNaTiO3
_chemical_formula_sum   'Cs2 Na2 Ti2 O6'
_cell_volume   196.29
_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
  Cs  Cs0  1  0.25  0.35  0.39  1.0
  Cs  Cs1  1  0.42  0.65  0.68  1.0
  Na  Na2  1  0.25  0.84  0.88  1.0
  Na  Na3  1  0.42  0.16  0.2  1.0
  Ti  Ti4  1  0.25  0.14  0.18  1.0
  Ti  Ti5  1  0.42  0.86  0.9  1.0
  O  O6  1  0.0  0.0  0.28  1.0
  O  O7  1  0.0  0.0  0.8  1.0
  O  O8  1  0.25  0.37  0.41  1.0
  O  O9  1  0.42  0.63  0.67  1.0
  O  O10  1  0.84  0.0  0.28  1.0
  O  O11  1  0.84  0.0  0.8  1.0

Cs Cs Na Na Ti Ti O O O O O O
Cs Cs Na Na Ti Ti O O O O O O 0 11 o o o 1 6 o o o 2 5 o o o 3 4 o o o 7 9 o o + 8 10 o o - 