data_CsSrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSrI3
_chemical_formula_sum   'Cs2 Sr2 I6'
_cell_volume   503.51
_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
  Cs  Cs0  1  0.46  0.95  0.33  1.0
  Cs  Cs1  1  0.46  0.05  0.11  1.0
  Sr  Sr2  1  0.0  0.0  0.22  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  I  I4  1  0.46  0.82  0.6  1.0
  I  I5  1  0.46  0.18  0.82  1.0
  I  I6  1  0.46  0.82  0.62  1.0
  I  I7  1  0.46  0.18  0.84  1.0
  I  I8  1  0.46  0.18  0.33  1.0
  I  I9  1  0.46  0.82  0.11  1.0

data_CsSrI3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   8.59
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSrI3
_chemical_formula_sum   'Cs2 Sr2 I6'
_cell_volume   503.51
_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
  Cs  Cs0  1  0.05  0.5  0.33  1.0
  Cs  Cs1  1  0.95  0.41  0.11  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.22  1.0
  I  I4  1  0.18  0.63  0.6  1.0
  I  I5  1  0.18  0.63  0.62  1.0
  I  I6  1  0.18  0.64  0.11  1.0
  I  I7  1  0.82  0.28  0.33  1.0
  I  I8  1  0.82  0.28  0.82  1.0
  I  I9  1  0.82  0.28  0.84  1.0

Cs Cs Sr Sr I I I I I I