data_RbTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   8.27
_cell_angle_alpha   93.55
_cell_angle_beta   93.55
_cell_angle_gamma   82.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTaO3
_chemical_formula_sum   'Rb4 Ta4 O12'
_cell_volume   344.39
_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
  Rb  Rb0  1  0.95  0.0  0.09  1.0
  Rb  Rb1  1  0.09  0.0  0.16  1.0
  Rb  Rb2  1  0.86  0.27  0.0  1.0
  Rb  Rb3  1  0.86  0.73  0.0  1.0
  Ta  Ta4  1  0.52  0.67  0.12  1.0
  Ta  Ta5  1  0.52  0.33  0.12  1.0
  Ta  Ta6  1  0.99  0.0  0.51  1.0
  Ta  Ta7  1  0.05  0.0  0.73  1.0
  O  O8  1  0.88  0.0  0.69  1.0
  O  O9  1  0.15  0.0  0.55  1.0
  O  O10  1  0.7  0.62  0.28  1.0
  O  O11  1  0.34  0.62  0.96  1.0
  O  O12  1  0.34  0.38  0.96  1.0
  O  O13  1  0.7  0.38  0.28  1.0
  O  O14  1  0.58  0.0  0.49  1.0
  O  O15  1  0.46  0.0  0.76  1.0
  O  O16  1  0.53  0.86  0.86  1.0
  O  O17  1  0.51  0.86  0.39  1.0
  O  O18  1  0.51  0.14  0.39  1.0
  O  O19  1  0.53  0.14  0.86  1.0

data_RbTaO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   8.27
_cell_angle_alpha   86.45
_cell_angle_beta   86.45
_cell_angle_gamma   82.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbTaO3
_chemical_formula_sum   'Rb4 Ta4 O12'
_cell_volume   344.39
_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
  Rb  Rb0  1  0.05  0.0  0.09  1.0
  Rb  Rb1  1  0.14  0.27  0.0  1.0
  Rb  Rb2  1  0.14  0.73  0.0  1.0
  Rb  Rb3  1  0.91  0.0  0.16  1.0
  Ta  Ta4  1  0.01  0.0  0.51  1.0
  Ta  Ta5  1  0.48  0.33  0.12  1.0
  Ta  Ta6  1  0.48  0.67  0.12  1.0
  Ta  Ta7  1  0.95  0.0  0.73  1.0
  O  O8  1  0.12  0.0  0.69  1.0
  O  O9  1  0.3  0.38  0.28  1.0
  O  O10  1  0.3  0.62  0.28  1.0
  O  O11  1  0.42  0.0  0.49  1.0
  O  O12  1  0.47  0.14  0.86  1.0
  O  O13  1  0.47  0.86  0.86  1.0
  O  O14  1  0.49  0.14  0.39  1.0
  O  O15  1  0.49  0.86  0.39  1.0
  O  O16  1  0.54  0.0  0.76  1.0
  O  O17  1  0.66  0.38  0.96  1.0
  O  O18  1  0.66  0.62  0.96  1.0
  O  O19  1  0.85  0.0  0.55  1.0

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