data_Na2ThTi3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ThTi3O9
_chemical_formula_sum   'Na2 Th1 Ti3 O9'
_cell_volume   176.37
_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  0.75  0.59  0.6  1.0
  Na  Na1  1  0.0  0.18  0.12  1.0
  Th  Th2  1  0.0  0.0  0.36  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ti  Ti4  1  0.75  0.59  0.18  1.0
  Ti  Ti5  1  0.0  0.18  0.54  1.0
  O  O6  1  0.44  0.01  0.49  1.0
  O  O7  1  0.31  0.76  0.23  1.0
  O  O8  1  0.62  0.38  0.36  1.0
  O  O9  1  0.75  0.25  0.23  1.0
  O  O10  1  0.75  0.0  0.36  1.0
  O  O11  1  0.0  0.51  0.49  1.0
  O  O12  1  0.19  0.76  0.23  1.0
  O  O13  1  0.38  0.38  0.36  1.0
  O  O14  1  0.56  0.01  0.49  1.0

data_Na2ThTi3O9
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ThTi3O9
_chemical_formula_sum   'Na2 Th1 Ti3 O9'
_cell_volume   176.37
_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  0.18  0.12  1.0
  Na  Na1  1  0.75  0.59  0.6  1.0
  Th  Th2  1  0.0  0.0  0.36  1.0
  Ti  Ti3  1  -0.0  0.18  0.54  1.0
  Ti  Ti4  1  0.0  0.0  0.0  1.0
  Ti  Ti5  1  0.75  0.59  0.18  1.0
  O  O6  1  -0.0  0.51  0.49  1.0
  O  O7  1  0.19  0.76  0.23  1.0
  O  O8  1  0.31  0.76  0.23  1.0
  O  O9  1  0.38  0.38  0.36  1.0
  O  O10  1  0.44  0.01  0.49  1.0
  O  O11  1  0.56  0.01  0.49  1.0
  O  O12  1  0.62  0.38  0.36  1.0
  O  O13  1  0.75  0.0  0.36  1.0
  O  O14  1  0.75  0.25  0.23  1.0

Na Na Th Ti Ti Ti O O O O O O O O O