data_Pr3Ta(ClO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56
_cell_length_b   9.56
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Ta(ClO2)3
_chemical_formula_sum   'Pr6 Ta2 Cl6 O12'
_cell_volume   423.67
_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
  Pr  Pr0  1  0.42  0.69  0.02  1.0
  Pr  Pr1  1  0.36  0.59  0.34  1.0
  Pr  Pr2  1  0.93  0.34  0.02  1.0
  Pr  Pr3  1  0.84  0.94  0.34  1.0
  Pr  Pr4  1  0.64  0.53  0.02  1.0
  Pr  Pr5  1  0.13  0.75  0.34  1.0
  Ta  Ta6  1  0.78  0.76  0.02  1.0
  Ta  Ta7  1  0.0  0.52  0.34  1.0
  Cl  Cl8  1  0.5  0.41  0.02  1.0
  Cl  Cl9  1  0.28  0.86  0.34  1.0
  Cl  Cl10  1  0.39  0.57  0.02  1.0
  Cl  Cl11  1  0.39  0.7  0.34  1.0
  Cl  Cl12  1  0.45  0.29  0.02  1.0
  Cl  Cl13  1  0.33  0.99  0.34  1.0
  O  O14  1  0.31  0.01  0.28  1.0
  O  O15  1  0.47  0.26  0.07  1.0
  O  O16  1  0.24  0.31  0.28  1.0
  O  O17  1  0.47  0.26  0.61  1.0
  O  O18  1  0.54  0.97  0.07  1.0
  O  O19  1  0.31  0.01  0.75  1.0
  O  O20  1  0.79  0.95  0.28  1.0
  O  O21  1  0.54  0.97  0.61  1.0
  O  O22  1  0.98  0.32  0.07  1.0
  O  O23  1  0.24  0.31  0.75  1.0
  O  O24  1  0.98  0.32  0.61  1.0
  O  O25  1  0.79  0.95  0.75  1.0

data_Pr3Ta(ClO2)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.36
_cell_length_b   9.56
_cell_length_c   9.56
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3Ta(ClO2)3
_chemical_formula_sum   'Pr6 Ta2 Cl6 O12'
_cell_volume   423.67
_cell_formula_units_Z   2
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
  Pr  Pr0  2  0.16  0.45  0.8  1.0
  Pr  Pr1  2  0.16  0.75  0.61  1.0
  Pr  Pr2  2  0.16  0.97  0.45  1.0
  Ta  Ta3  2  0.16  0.61  0.38  1.0
  Cl  Cl4  2  0.16  0.0  0.57  1.0
  Cl  Cl5  2  0.16  0.89  0.72  1.0
  Cl  Cl6  2  0.16  0.94  0.85  1.0
  O  O7  2  0.11  0.4  0.82  1.0
  O  O8  2  0.11  0.85  0.17  1.0
  O  O9  2  0.11  0.92  0.88  1.0
  O  O10  2  0.43  0.08  0.12  1.0
  O  O11  2  0.43  0.15  0.83  1.0
  O  O12  2  0.43  0.6  0.18  1.0

Pr Pr Pr Pr Pr Pr Ta Ta Cl Cl Cl Cl Cl Cl O O O O O O O O O O O O
Pr Pr Pr Pr Pr Pr Ta Ta Cl Cl Cl Cl Cl Cl O O O O O O O O O O O O 0 10 o o o 0 18 o o o 1 11 o o o 1 16 o o o 2 22 o o o 2 7 + o o 2 24 o o - 3 20 o o o 3 6 o o o 3 25 o o o 4 8 o o o 4 6 o o o 5 9 o o o 5 7 o o o 6 25 o o - 6 20 o o o 7 22 - o o 7 24 - o o 8 12 o o o 8 16 o o o 8 17 o o - 8 23 o o - 9 13 o o o 9 18 o o o 9 19 o + o 9 21 o o o 10 16 o o o 10 23 o o - 11 18 o o o 11 21 o o o 12 15 o o o 12 16 o o o 12 17 o o - 12 19 o o - 12 23 o o - 13 14 o + o 13 17 o + o 13 18 o o o 13 19 o + o 13 21 o o o 14 17 o o o 14 18 o - o 14 19 o o o 14 19 o o - 14 21 o - o 15 16 o o o 15 17 o o o 15 17 o o - 15 19 o o - 15 23 o o - 16 22 - o o 16 24 - o o 16 17 o o o 16 23 o o - 16 23 o o o 17 19 o o o 17 23 o o o 18 19 o + - 18 25 o o - 18 20 o o o 18 21 o o - 18 21 o o o 19 21 o - o 20 21 o o o 20 25 o o o 21 25 o o o 22 23 + o - 22 24 o o - 23 24 - o o 