data_PrRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   58.43
_cell_angle_beta   58.43
_cell_angle_gamma   58.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrRuO3
_chemical_formula_sum   'Pr2 Ru2 O6'
_cell_volume   135.15
_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  Pr6  1  0.0  0.0  0.33  1.0
  Pr  Pr7  1  0.0  0.0  0.12  1.0
  Ru  Ru8  1  0.0  0.0  0.32  1.0
  Ru  Ru9  1  0.0  0.0  0.13  1.0
  O  O0  1  0.15  0.93  0.15  1.0
  O  O1  1  0.99  0.9  0.15  1.0
  O  O2  1  0.86  0.17  0.15  1.0
  O  O3  1  0.14  0.83  0.3  1.0
  O  O4  1  0.01  0.1  0.3  1.0
  O  O5  1  0.85  0.07  0.3  1.0

data_PrRuO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.83
_cell_angle_alpha   60.79
_cell_angle_beta   60.79
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PrRuO3
_chemical_formula_sum   'Pr2 Ru2 O6'
_cell_volume   135.15
_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  0.0  0.4  0.1  1.0
  Ru  Ru1  2  0.0  0.4  0.1  1.0
  O  O2  2  0.07  0.58  1.0  1.0
  O  O3  2  0.1  0.58  0.81  1.0
  O  O4  2  0.17  0.42  0.04  1.0

Pr Pr Ru Ru O O O O O O