data_BaPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   56.38
_cell_angle_beta   56.38
_cell_angle_gamma   56.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPrO3
_chemical_formula_sum   'Ba2 Pr2 O6'
_cell_volume   199.84
_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
  Ba  Ba0  1  0.0  0.0  0.75  1.0
  Ba  Ba1  1  0.0  0.0  0.24  1.0
  Pr  Pr8  1  0.0  0.0  0.49  1.0
  Pr  Pr9  1  0.0  0.0  0.5  1.0
  O  O2  1  0.93  0.77  0.79  1.0
  O  O3  1  0.6  0.04  0.79  1.0
  O  O4  1  0.47  0.19  0.79  1.0
  O  O5  1  0.53  0.81  0.2  1.0
  O  O6  1  0.4  0.96  0.2  1.0
  O  O7  1  0.07  0.23  0.2  1.0

data_BaPrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.76
_cell_angle_alpha   61.81
_cell_angle_beta   61.81
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaPrO3
_chemical_formula_sum   'Ba2 Pr2 O6'
_cell_volume   199.84
_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
  Ba  Ba0  2  0.0  0.25  0.75  1.0
  Pr  Pr1  2  0.0  0.49  0.51  1.0
  O  O2  2  0.04  0.79  0.57  1.0
  O  O3  2  0.19  0.79  0.55  1.0
  O  O4  2  0.23  0.21  0.49  1.0

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