data_CsSmI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSmI3
_chemical_formula_sum   'Cs2 Sm2 I6'
_cell_volume   457.43
_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  0.31  0.21  0.01  1.0
  Cs  Cs1  1  0.31  0.79  0.0  1.0
  Sm  Sm2  1  0.0  0.0  0.01  1.0
  Sm  Sm3  1  0.0  0.0  0.0  1.0
  I  I4  1  0.31  0.88  0.55  1.0
  I  I5  1  0.31  0.12  0.46  1.0
  I  I6  1  0.31  0.12  0.55  1.0
  I  I7  1  0.31  0.88  0.47  1.0
  I  I8  1  0.31  0.8  0.01  1.0
  I  I9  1  0.31  0.2  0.0  1.0

data_CsSmI3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   8.56
_cell_length_c   12.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSmI3
_chemical_formula_sum   'Cs2 Sm2 I6'
_cell_volume   457.43
_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  0.21  0.52  0.0  1.0
  Cs  Cs1  1  0.79  0.1  0.01  1.0
  Sm  Sm2  1  0.0  0.0  0.0  1.0
  Sm  Sm3  1  0.0  0.0  0.01  1.0
  I  I4  1  0.12  0.43  0.47  1.0
  I  I5  1  0.12  0.43  0.55  1.0
  I  I6  1  0.2  0.51  0.01  1.0
  I  I7  1  0.8  0.11  0.0  1.0
  I  I8  1  0.88  0.19  0.46  1.0
  I  I9  1  0.88  0.19  0.55  1.0

Cs Cs Sm Sm I I I I I I
Cs Cs Sm Sm I I I I I I 0 9 o o o 1 8 o o o 2 3 o o o 4 7 o o o 5 6 o o o 