# generated using pymatgen
data_Sm7CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67829847
_cell_length_b   9.67829837
_cell_length_c   9.67829751
_cell_angle_alpha   107.70214830
_cell_angle_beta   107.70214278
_cell_angle_gamma   107.70214579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm7CI12
_chemical_formula_sum   'Sm7 C1 I12'
_cell_volume   740.05557935
_cell_formula_units_Z   1
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
  Sm  Sm0  1  0.10576410  0.04000402  0.29339712  1.0
  Sm  Sm1  1  0.29339712  0.10576410  0.04000402  1.0
  Sm  Sm2  1  0.04000402  0.29339712  0.10576410  1.0
  Sm  Sm3  1  0.71108469  0.90911425  0.97699384  1.0
  Sm  Sm4  1  0.97699384  0.71108469  0.90911425  1.0
  Sm  Sm5  1  0.90911425  0.97699384  0.71108469  1.0
  Sm  Sm6  1  0.46872714  0.46872714  0.46872714  1.0
  C  C7  1  0.99287464  0.99287464  0.99287464  1.0
  I  I8  1  0.77629464  0.92171440  0.31646790  1.0
  I  I9  1  0.38937570  0.47488558  0.13969362  1.0
  I  I10  1  0.47488558  0.13969362  0.38937570  1.0
  I  I11  1  0.13969362  0.38937570  0.47488558  1.0
  I  I12  1  0.31646790  0.77629464  0.92171440  1.0
  I  I13  1  0.92171440  0.31646790  0.77629464  1.0
  I  I14  1  0.61238698  0.53562678  0.84033513  1.0
  I  I15  1  0.84033513  0.61238698  0.53562678  1.0
  I  I16  1  0.53562678  0.84033513  0.61238698  1.0
  I  I17  1  0.68919918  0.23358478  0.07802451  1.0
  I  I18  1  0.07802451  0.68919918  0.23358478  1.0
  I  I19  1  0.23358478  0.07802451  0.68919918  1.0