data_SrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   6.25
_cell_angle_alpha   92.32
_cell_angle_beta   92.32
_cell_angle_gamma   99.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrO6
_chemical_formula_sum   'Sr2 O12'
_cell_volume   217.6
_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  Sr0  1  0.74  0.2  0.56  1.0
  Sr  Sr1  1  0.54  0.8  0.68  1.0
  O  O2  1  0.23  0.77  0.69  1.0
  O  O3  1  0.86  0.77  0.67  1.0
  O  O4  1  0.05  0.23  0.55  1.0
  O  O5  1  0.43  0.23  0.57  1.0
  O  O6  1  0.95  0.7  0.61  1.0
  O  O7  1  0.14  0.7  0.75  1.0
  O  O8  1  0.33  0.3  0.63  1.0
  O  O9  1  0.15  0.3  0.49  1.0
  O  O10  1  0.27  0.03  0.41  1.0
  O  O11  1  0.21  0.03  0.71  1.0
  O  O12  1  0.01  0.97  0.83  1.0
  O  O13  1  0.08  0.97  0.53  1.0

data_SrO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   6.25
_cell_angle_alpha   92.32
_cell_angle_beta   92.32
_cell_angle_gamma   99.58
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrO6
_chemical_formula_sum   'Sr2 O12'
_cell_volume   217.6
_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  0.4  0.8  0.56  1.0
  O  O1  2  0.0  0.3  0.37  1.0
  O  O2  2  0.07  0.03  0.59  1.0
  O  O3  2  0.09  0.77  0.57  1.0
  O  O4  2  0.13  0.03  0.29  1.0
  O  O5  2  0.19  0.3  0.51  1.0
  O  O6  2  0.29  0.23  0.45  1.0

Sr Sr O O O O O O O O O O O O
Sr Sr O O O O O O O O O O O O 0 5 o o o 0 4 + o o 1 2 o o o 1 3 o o o 2 7 o o o 2 11 o + o 3 6 o o o 3 12 + o o 4 9 o o o 4 13 o - o 5 8 o o o 5 10 o o o 10 13 o - o 11 13 o - o 11 12 o - o 