data_Ba2PrNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.15
_cell_angle_alpha   120.03
_cell_angle_beta   120.03
_cell_angle_gamma   60.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PrNbO6
_chemical_formula_sum   'Ba2 Pr1 Nb1 O6'
_cell_volume   160.48
_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
  Ba  Ba0  1  0.95  0.0  0.8  1.0
  Ba  Ba1  1  0.02  0.0  0.22  1.0
  Pr  Pr9  1  0.48  0.0  0.51  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.62  0.0  0.51  1.0
  O  O4  1  0.79  0.38  0.07  1.0
  O  O5  1  0.79  0.62  0.07  1.0
  O  O6  1  0.18  0.38  0.95  1.0
  O  O7  1  0.18  0.62  0.95  1.0
  O  O8  1  0.34  0.0  0.51  1.0

data_Ba2PrNbO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.11
_cell_angle_alpha   90.42
_cell_angle_beta   119.41
_cell_angle_gamma   119.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PrNbO6
_chemical_formula_sum   'Ba2 Pr1 Nb1 O6'
_cell_volume   160.48
_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
  Ba  Ba0  1  0.15  0.0  0.2  1.0
  Ba  Ba1  1  0.8  0.0  0.78  1.0
  Pr  Pr2  1  0.98  0.0  0.49  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.12  0.0  0.49  1.0
  O  O5  1  0.23  0.38  0.05  1.0
  O  O6  1  0.23  0.62  0.05  1.0
  O  O7  1  0.72  0.38  0.93  1.0
  O  O8  1  0.72  0.62  0.93  1.0
  O  O9  1  0.83  0.0  0.49  1.0

Ba Ba Pr Nb O O O O O O
Ba Ba Pr Nb O O O O O O 0 3 + o + 1 3 o o o 2 9 o o o 2 4 o o o 5 6 o o o 7 8 o o o 