data_NaTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   7.86
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaO3
_chemical_formula_sum   'Na4 Ta4 O12'
_cell_volume   243.02
_cell_formula_units_Z   4
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  Na12  1  0.91  0.97  0.51  1.0
  Na  Na13  1  0.48  0.9  0.74  1.0
  Na  Na14  1  0.11  0.97  0.79  1.0
  Na  Na15  1  0.68  0.9  0.02  1.0
  Ta  Ta16  1  0.0  0.0  0.0  1.0
  Ta  Ta17  1  0.79  0.0  0.77  1.0
  Ta  Ta18  1  0.79  0.93  0.77  1.0
  Ta  Ta19  1  0.0  0.93  0.0  1.0
  O  O0  1  0.37  0.67  0.97  1.0
  O  O1  1  0.01  0.19  0.2  1.0
  O  O2  1  0.58  0.26  0.33  1.0
  O  O3  1  0.22  0.6  0.57  1.0
  O  O4  1  0.22  0.19  0.57  1.0
  O  O5  1  0.58  0.67  0.33  1.0
  O  O6  1  0.01  0.6  0.2  1.0
  O  O7  1  0.37  0.26  0.97  1.0
  O  O8  1  0.53  0.97  0.36  1.0
  O  O9  1  0.86  0.9  0.12  1.0
  O  O10  1  0.73  0.97  0.41  1.0
  O  O11  1  0.06  0.9  0.18  1.0

data_NaTaO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.59
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaO3
_chemical_formula_sum   'Na4 Ta4 O12'
_cell_volume   243.02
_cell_formula_units_Z   4
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  0.02  0.68  0.9  1.0
  Na  Na1  1  0.51  0.91  0.97  1.0
  Na  Na2  1  0.74  0.48  0.9  1.0
  Na  Na3  1  0.79  0.11  0.97  1.0
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.0  -0.0  0.93  1.0
  Ta  Ta6  1  0.77  0.79  0.0  1.0
  Ta  Ta7  1  0.77  0.79  0.93  1.0
  O  O8  1  0.12  0.86  0.9  1.0
  O  O9  1  0.18  0.06  0.9  1.0
  O  O10  1  0.2  0.01  0.19  1.0
  O  O11  1  0.2  0.01  0.6  1.0
  O  O12  1  0.33  0.58  0.26  1.0
  O  O13  1  0.33  0.58  0.67  1.0
  O  O14  1  0.36  0.53  0.97  1.0
  O  O15  1  0.41  0.73  0.97  1.0
  O  O16  1  0.57  0.22  0.19  1.0
  O  O17  1  0.57  0.22  0.6  1.0
  O  O18  1  0.97  0.37  0.26  1.0
  O  O19  1  0.97  0.37  0.67  1.0

Na Na Na Na Ta Ta Ta Ta O O O O O O O O O O O O
Na Na Na Na Ta Ta Ta Ta O O O O O O O O O O O O 0 18 o o o 0 9 + + o 0 12 + + o 1 8 o o o 1 2 o o o 1 16 o o o 1 5 o + o 1 3 o o + 1 6 o o o 2 7 o o + 2 4 o + + 2 12 o + o 2 15 o + o 3 17 o o o 3 8 o o - 3 13 o o o 4 7 o - o 4 9 o o o 4 17 - - o 4 19 o - o 5 6 o - o 7 9 o + o 7 14 o o o 7 17 - o o 7 19 o o o 8 11 o o o 8 14 o o + 8 19 o o + 8 13 o o + 9 17 - - o 9 10 - o o 9 19 o - o 9 15 o o - 9 12 o o o 10 12 o o o 10 16 o - o 10 15 o o - 10 18 o - o 11 14 o o o 11 13 o o o 12 16 o - o 12 15 o o o 13 16 o o o 13 14 + o o 13 17 o o o 13 18 o o o 14 17 - o o 14 19 o o o 16 18 o o o 17 19 + o o 