# generated using pymatgen
data_Sc7(CCl5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56876100
_cell_length_b   9.56876100
_cell_length_c   11.92457814
_cell_angle_alpha   80.12321773
_cell_angle_beta   80.12321773
_cell_angle_gamma   21.12936429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7(CCl5)2
_chemical_formula_sum   'Sc7 C2 Cl10'
_cell_volume   387.53905950
_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  0.81843265  0.81843265  0.50680849  1.0
  Sc  Sc1  1  0.18156735  0.18156735  0.49319151  1.0
  Sc  Sc2  1  0.69954384  0.69954384  0.72178446  1.0
  Sc  Sc3  1  0.30045616  0.30045616  0.27821554  1.0
  Sc  Sc4  1  0.34365897  0.34365897  0.73059862  1.0
  Sc  Sc5  1  0.65634103  0.65634103  0.26940138  1.0
  Sc  Sc6  1  0.00000000  0.00000000  -0.00000000  1.0
  C  C7  1  0.26055002  0.26055002  0.62485418  1.0
  C  C8  1  0.73944998  0.73944998  0.37514582  1.0
  Cl  Cl9  1  0.45203047  0.45203047  0.87923910  1.0
  Cl  Cl10  1  0.54796953  0.54796953  0.12076090  1.0
  Cl  Cl11  1  0.78541776  0.78541776  0.87197139  1.0
  Cl  Cl12  1  0.21458224  0.21458224  0.12802861  1.0
  Cl  Cl13  1  0.12188932  0.12188932  0.86603507  1.0
  Cl  Cl14  1  0.07393071  0.07393071  0.37349227  1.0
  Cl  Cl15  1  0.92606929  0.92606929  0.62650773  1.0
  Cl  Cl16  1  0.40369875  0.40369875  0.38498494  1.0
  Cl  Cl17  1  0.59630125  0.59630125  0.61501506  1.0
  Cl  Cl18  1  0.87811068  0.87811068  0.13396493  1.0