# generated using pymatgen
data_Sc5CCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54360472
_cell_length_b   9.15952844
_cell_length_c   9.51331593
_cell_angle_alpha   80.92223865
_cell_angle_beta   79.26628947
_cell_angle_gamma   78.84650105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5CCl8
_chemical_formula_sum   'Sc5 C1 Cl8'
_cell_volume   295.26453089
_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  0.83927223  0.64871008  0.67274446  1.0
  Sc  Sc1  1  0.16072777  0.35128992  0.32725554  1.0
  Sc  Sc2  1  0.48848218  0.63657039  0.38646624  1.0
  Sc  Sc3  1  0.51151782  0.36342961  0.61353376  1.0
  Sc  Sc4  1  -0.00000000  0.00000000  0.00000000  1.0
  C  C5  1  -0.00000000  0.50000000  0.50000000  1.0
  Cl  Cl6  1  0.02778136  0.17881916  0.76561913  1.0
  Cl  Cl7  1  0.97221864  0.82118084  0.23438087  1.0
  Cl  Cl8  1  0.32815185  0.50922550  0.83447180  1.0
  Cl  Cl9  1  0.67184815  0.49077450  0.16552820  1.0
  Cl  Cl10  1  0.69953061  0.16596517  0.43497161  1.0
  Cl  Cl11  1  0.30046939  0.83403483  0.56502839  1.0
  Cl  Cl12  1  0.36913898  0.15816851  0.10355254  1.0
  Cl  Cl13  1  0.63086102  0.84183149  0.89644746  1.0