# generated using pymatgen
data_Sc4C2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41045938
_cell_length_b   9.79794592
_cell_length_c   18.37880493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4C2Cl3
_chemical_formula_sum   'Sc16 C8 Cl12'
_cell_volume   614.13689199
_cell_formula_units_Z   4
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  0.25000000  0.86926126  0.57675011  1.0
  Sc  Sc1  1  0.75000000  0.13073874  0.42324989  1.0
  Sc  Sc2  1  0.75000000  0.63073874  0.07675011  1.0
  Sc  Sc3  1  0.25000000  0.36926126  0.92324989  1.0
  Sc  Sc4  1  0.25000000  0.87403581  0.74342687  1.0
  Sc  Sc5  1  0.75000000  0.12596419  0.25657313  1.0
  Sc  Sc6  1  0.75000000  0.62596419  0.24342687  1.0
  Sc  Sc7  1  0.25000000  0.37403581  0.75657313  1.0
  Sc  Sc8  1  0.25000000  0.86231828  0.16704378  1.0
  Sc  Sc9  1  0.75000000  0.13768172  0.83295622  1.0
  Sc  Sc10  1  0.75000000  0.63768172  0.66704378  1.0
  Sc  Sc11  1  0.25000000  0.36231828  0.33295622  1.0
  Sc  Sc12  1  0.25000000  0.89062300  0.33069847  1.0
  Sc  Sc13  1  0.75000000  0.10937700  0.66930153  1.0
  Sc  Sc14  1  0.75000000  0.60937700  0.83069847  1.0
  Sc  Sc15  1  0.25000000  0.39062300  0.16930153  1.0
  C  C16  1  0.25000000  0.62338064  0.75076820  1.0
  C  C17  1  0.75000000  0.37661936  0.24923180  1.0
  C  C18  1  0.75000000  0.87661936  0.25076820  1.0
  C  C19  1  0.25000000  0.12338064  0.74923180  1.0
  C  C20  1  0.25000000  0.62523150  0.15382875  1.0
  C  C21  1  0.75000000  0.37476850  0.84617125  1.0
  C  C22  1  0.75000000  0.87476850  0.65382875  1.0
  C  C23  1  0.25000000  0.12523150  0.34617125  1.0
  Cl  Cl24  1  0.25000000  0.61944063  0.55676483  1.0
  Cl  Cl25  1  0.75000000  0.38055937  0.44323517  1.0
  Cl  Cl26  1  0.75000000  0.88055937  0.05676483  1.0
  Cl  Cl27  1  0.25000000  0.11944063  0.94323517  1.0
  Cl  Cl28  1  0.25000000  0.62832673  0.95394347  1.0
  Cl  Cl29  1  0.75000000  0.37167327  0.04605653  1.0
  Cl  Cl30  1  0.75000000  0.87167327  0.45394347  1.0
  Cl  Cl31  1  0.25000000  0.12832673  0.54605653  1.0
  Cl  Cl32  1  0.25000000  0.62865327  0.35394383  1.0
  Cl  Cl33  1  0.75000000  0.37134673  0.64605617  1.0
  Cl  Cl34  1  0.75000000  0.87134673  0.85394383  1.0
  Cl  Cl35  1  0.25000000  0.12865327  0.14605617  1.0