# generated using pymatgen
data_Sc4CCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53387819
_cell_length_b   11.68745811
_cell_length_c   12.14199151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4CCl6
_chemical_formula_sum   'Sc8 C2 Cl12'
_cell_volume   501.48918066
_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
  Sc  Sc0  1  0.00000000  0.10218624  0.07985977  1.0
  Sc  Sc1  1  0.00000000  0.89781376  0.92014023  1.0
  Sc  Sc2  1  0.00000000  0.60218624  0.42014023  1.0
  Sc  Sc3  1  0.00000000  0.39781376  0.57985977  1.0
  Sc  Sc4  1  0.50000000  0.12189397  0.85533905  1.0
  Sc  Sc5  1  0.50000000  0.87810603  0.14466095  1.0
  Sc  Sc6  1  0.50000000  0.62189397  0.64466095  1.0
  Sc  Sc7  1  0.50000000  0.37810603  0.35533905  1.0
  C  C8  1  0.50000000  0.00000000  0.00000000  1.0
  C  C9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.26703207  0.68001066  1.0
  Cl  Cl11  1  0.50000000  0.73296793  0.31998934  1.0
  Cl  Cl12  1  0.50000000  0.76703207  0.81998934  1.0
  Cl  Cl13  1  0.50000000  0.23296793  0.18001066  1.0
  Cl  Cl14  1  0.00000000  0.25868899  0.93019489  1.0
  Cl  Cl15  1  0.00000000  0.74131101  0.06980511  1.0
  Cl  Cl16  1  0.00000000  0.48233155  0.24183339  1.0
  Cl  Cl17  1  0.00000000  0.51766845  0.75816661  1.0
  Cl  Cl18  1  0.00000000  0.98233155  0.25816661  1.0
  Cl  Cl19  1  0.00000000  0.01766845  0.74183339  1.0
  Cl  Cl20  1  0.00000000  0.24131101  0.43019489  1.0
  Cl  Cl21  1  0.00000000  0.75868899  0.56980511  1.0