# generated using pymatgen
data_Sc7CI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28736561
_cell_length_b   9.31002328
_cell_length_c   9.29722787
_cell_angle_alpha   108.01783817
_cell_angle_beta   108.00457617
_cell_angle_gamma   107.69484247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7CI12
_chemical_formula_sum   'Sc7 C1 I12'
_cell_volume   652.23416492
_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
  Sc  Sc0  1  0.09469123  0.03477991  0.27268819  1.0
  Sc  Sc1  1  0.27409709  0.09637413  0.03478534  1.0
  Sc  Sc2  1  0.03689224  0.27429144  0.09318941  1.0
  Sc  Sc3  1  0.73017659  0.91222986  0.97581900  1.0
  Sc  Sc4  1  0.97361846  0.72988757  0.91606068  1.0
  Sc  Sc5  1  0.91465682  0.97669604  0.73119702  1.0
  Sc  Sc6  1  0.47896636  0.47853292  0.47898891  1.0
  C  C7  1  0.99868099  0.99869738  0.99857595  1.0
  I  I8  1  0.77919835  0.92503695  0.30413473  1.0
  I  I9  1  0.38517404  0.46114639  0.14696452  1.0
  I  I10  1  0.46133185  0.14647533  0.38270013  1.0
  I  I11  1  0.14518277  0.38285805  0.45791506  1.0
  I  I12  1  0.30181348  0.77995061  0.92489546  1.0
  I  I13  1  0.92442639  0.30378671  0.77822394  1.0
  I  I14  1  0.61738486  0.54448769  0.84236105  1.0
  I  I15  1  0.84266389  0.61880587  0.54656798  1.0
  I  I16  1  0.54445461  0.84163520  0.61873899  1.0
  I  I17  1  0.70083100  0.22407587  0.07480100  1.0
  I  I18  1  0.07610080  0.70063395  0.22758693  1.0
  I  I19  1  0.22520718  0.07516513  0.69935569  1.0