data_SrH2I2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.69
_cell_length_b   4.56
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrH2I2O
_chemical_formula_sum   'Sr4 H8 I8 O4'
_cell_volume   567.63
_cell_formula_units_Z   4
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  0.86  0.14  0.71  1.0
  Sr  Sr1  1  0.51  0.14  0.2  1.0
  Sr  Sr2  1  0.83  0.42  0.11  1.0
  Sr  Sr3  1  0.18  0.42  0.62  1.0
  H  H4  1  0.11  0.42  0.1  1.0
  H  H5  1  0.76  0.42  0.81  1.0
  H  H6  1  0.58  0.14  0.72  1.0
  H  H7  1  0.93  0.14  0.01  1.0
  H  H8  1  0.78  0.42  0.62  1.0
  H  H9  1  0.43  0.42  0.29  1.0
  H  H10  1  0.91  0.14  0.2  1.0
  H  H11  1  0.26  0.14  0.53  1.0
  I  I12  1  0.65  0.42  0.99  1.0
  I  I13  1  0.31  0.42  0.73  1.0
  I  I14  1  0.04  0.14  0.83  1.0
  I  I15  1  0.38  0.14  0.08  1.0
  I  I16  1  0.72  0.42  0.41  1.0
  I  I17  1  0.37  0.42  0.5  1.0
  I  I18  1  0.97  0.14  0.41  1.0
  I  I19  1  0.32  0.14  0.32  1.0
  O  O20  1  0.35  0.42  0.73  1.0
  O  O21  1  0.01  0.42  0.18  1.0
  O  O22  1  0.34  0.14  0.09  1.0
  O  O23  1  0.68  0.14  0.64  1.0

data_SrH2I2O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.56
_cell_length_b   9.82
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrH2I2O
_chemical_formula_sum   'Sr4 H8 I8 O4'
_cell_volume   567.63
_cell_formula_units_Z   4
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  0.14  0.21  0.83  1.0
  Sr  Sr1  2  0.14  0.7  0.49  1.0
  H  H2  2  0.14  0.21  0.43  1.0
  H  H3  2  0.14  0.4  0.42  1.0
  H  H4  2  0.14  0.69  0.76  1.0
  H  H5  2  0.14  0.88  0.09  1.0
  I  I6  2  0.14  0.09  0.03  1.0
  I  I7  2  0.14  0.33  0.96  1.0
  I  I8  2  0.14  0.58  0.31  1.0
  I  I9  2  0.14  1.0  0.37  1.0
  O  O10  2  0.14  0.32  0.01  1.0
  O  O11  2  0.14  0.77  0.66  1.0

Sr Sr Sr Sr H H H H H H H H I I I I I I I I O O O O