data_BaPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   60.97
_cell_angle_beta   60.97
_cell_angle_gamma   60.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPrO3
_chemical_formula_sum   'Ba2 Pr2 O6'
_cell_volume   180.69
_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  0.49  1.0
  Ba  Ba1  1  0.0  0.0  0.83  1.0
  Pr  Pr8  1  0.0  0.0  0.0  1.0
  Pr  Pr9  1  0.0  0.0  0.66  1.0
  O  O2  1  0.32  0.6  0.94  1.0
  O  O3  1  0.45  0.15  0.38  1.0
  O  O4  1  0.12  0.56  0.94  1.0
  O  O5  1  0.88  0.44  0.38  1.0
  O  O6  1  0.55  0.85  0.94  1.0
  O  O7  1  0.68  0.4  0.38  1.0

data_BaPrO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   60.97
_cell_angle_beta   60.97
_cell_angle_gamma   60.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPrO3
_chemical_formula_sum   'Ba2 Pr2 O6'
_cell_volume   180.69
_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  0.17  1.0
  Ba  Ba1  1  0.0  0.0  0.51  1.0
  Pr  Pr2  1  0.0  0.0  0.0  1.0
  Pr  Pr3  1  0.0  0.0  0.34  1.0
  O  O4  1  0.15  0.45  0.06  1.0
  O  O5  1  0.4  0.68  0.06  1.0
  O  O6  1  0.44  0.88  0.06  1.0
  O  O7  1  0.56  0.12  0.62  1.0
  O  O8  1  0.6  0.32  0.62  1.0
  O  O9  1  0.85  0.55  0.62  1.0

Ba Ba Pr Pr O O O O O O