data_SrCeI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   7.5
_cell_angle_alpha   108.72
_cell_angle_beta   108.72
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCeI4
_chemical_formula_sum   'Sr2 Ce2 I8'
_cell_volume   477.26
_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  0.97  0.53  0.63  1.0
  Sr  Sr1  1  0.09  0.47  0.54  1.0
  Ce  Ce2  1  0.97  0.0  0.63  1.0
  Ce  Ce3  1  0.09  1.0  0.54  1.0
  I  I4  1  0.9  0.94  0.64  1.0
  I  I5  1  0.91  0.64  0.64  1.0
  I  I6  1  0.03  0.64  0.63  1.0
  I  I7  1  0.03  0.36  0.55  1.0
  I  I8  1  0.77  0.06  0.73  1.0
  I  I9  1  0.15  0.36  0.54  1.0
  I  I10  1  0.29  0.94  0.45  1.0
  I  I11  1  0.17  0.06  0.54  1.0

data_SrCeI4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.5
_cell_length_b   8.66
_cell_length_c   9.09
_cell_angle_alpha   113.4
_cell_angle_beta   108.72
_cell_angle_gamma   101.04
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrCeI4
_chemical_formula_sum   'Sr2 Ce2 I8'
_cell_volume   477.26
_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  0.01  0.47  0.41  1.0
  Ce  Ce1  2  0.46  0.0  0.06  1.0
  I  I2  2  0.09  0.64  0.76  1.0
  I  I3  2  0.11  0.64  0.64  1.0
  I  I4  2  0.38  0.94  0.07  1.0
  I  I5  2  0.42  0.06  0.32  1.0

Sr Sr Ce Ce I I I I I I I I
Sr Sr Ce Ce I I I I I I I I 0 6 + o o 0 5 o o o 1 7 o o o 1 9 o o o 2 4 o - o 2 8 o o o 3 11 o + o 3 10 o o o 4 8 o + o 5 6 + o o 7 9 o o o 10 11 o + o 