data_SrPrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   57.89
_cell_angle_beta   57.89
_cell_angle_gamma   57.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPrO3
_chemical_formula_sum   'Sr2 Pr2 O6'
_cell_volume   176.12
_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
  Sr  Sr8  1  0.0  0.0  0.78  1.0
  Sr  Sr9  1  0.0  0.0  0.14  1.0
  Pr  Pr6  1  0.0  0.0  0.24  1.0
  Pr  Pr7  1  0.0  0.0  0.67  1.0
  O  O0  1  0.65  0.13  0.69  1.0
  O  O1  1  0.3  0.77  0.69  1.0
  O  O2  1  0.05  0.11  0.69  1.0
  O  O3  1  0.95  0.89  0.23  1.0
  O  O4  1  0.7  0.23  0.23  1.0
  O  O5  1  0.35  0.87  0.23  1.0

data_SrPrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.4
_cell_angle_alpha   61.06
_cell_angle_beta   61.06
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrPrO3
_chemical_formula_sum   'Sr2 Pr2 O6'
_cell_volume   176.12
_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
  Sr  Sr0  2  0.0  0.18  0.32  1.0
  Pr  Pr1  2  0.0  0.28  0.22  1.0
  O  O2  2  0.11  0.73  0.62  1.0
  O  O3  2  0.13  0.73  1.0  1.0
  O  O4  2  0.23  0.27  0.29  1.0

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