data_KSrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.17
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrI3
_chemical_formula_sum   'K2 Sr2 I6'
_cell_volume   455.45
_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
  K  K0  1  0.39  0.96  0.13  1.0
  K  K1  1  0.39  0.04  0.04  1.0
  Sr  Sr2  1  0.0  0.0  0.09  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  I  I4  1  0.39  0.82  0.8  1.0
  I  I5  1  0.39  0.18  0.37  1.0
  I  I6  1  0.39  0.18  0.72  1.0
  I  I7  1  0.39  0.82  0.45  1.0
  I  I8  1  0.39  0.47  0.13  1.0
  I  I9  1  0.39  0.53  0.04  1.0

data_KSrI3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   8.17
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrI3
_chemical_formula_sum   'K2 Sr2 I6'
_cell_volume   455.45
_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
  K  K0  1  0.04  0.44  0.13  1.0
  K  K1  1  0.96  0.35  0.04  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.09  1.0
  I  I4  1  0.18  0.58  0.45  1.0
  I  I5  1  0.18  0.58  0.8  1.0
  I  I6  1  0.47  0.86  0.04  1.0
  I  I7  1  0.53  0.92  0.13  1.0
  I  I8  1  0.82  0.21  0.37  1.0
  I  I9  1  0.82  0.21  0.72  1.0

K K Sr Sr I I I I I I