# generated using pymatgen
data_Sc7SiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34051147
_cell_length_b   9.33398637
_cell_length_c   9.33719706
_cell_angle_alpha   107.59171888
_cell_angle_beta   107.68794793
_cell_angle_gamma   107.79563249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7SiI12
_chemical_formula_sum   'Sc7 Si1 I12'
_cell_volume   664.74387435
_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  0.30049337  0.09717002  0.02936360  1.0
  Sc  Sc1  1  0.09787181  0.03015777  0.30060790  1.0
  Sc  Sc2  1  0.02878640  0.30030248  0.09855537  1.0
  Sc  Sc3  1  0.69950663  0.90282998  0.97063640  1.0
  Sc  Sc4  1  0.90212819  0.96984223  0.69939210  1.0
  Sc  Sc5  1  0.97121360  0.69969752  0.90144463  1.0
  Sc  Sc6  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.22432133  0.07563504  0.68664551  1.0
  I  I9  1  0.07539680  0.68670560  0.22418318  1.0
  I  I10  1  0.68655679  0.22509459  0.07588694  1.0
  I  I11  1  0.77567867  0.92436496  0.31335449  1.0
  I  I12  1  0.92460320  0.31329440  0.77581682  1.0
  I  I13  1  0.31344321  0.77490541  0.92411306  1.0
  I  I14  1  0.38356832  0.45917751  0.15284039  1.0
  I  I15  1  0.45933293  0.15275824  0.38403421  1.0
  I  I16  1  0.15367211  0.38423784  0.46032490  1.0
  I  I17  1  0.61643168  0.54082249  0.84715961  1.0
  I  I18  1  0.54066707  0.84724176  0.61596579  1.0
  I  I19  1  0.84632789  0.61576216  0.53967510  1.0