# generated using pymatgen
data_Sc6C2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48113849
_cell_length_b   9.50430625
_cell_length_c   9.69635867
_cell_angle_alpha   107.50244408
_cell_angle_beta   100.34107229
_cell_angle_gamma   100.55240256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6C2Cl7
_chemical_formula_sum   'Sc6 C2 Cl7'
_cell_volume   291.21813936
_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  0.92927723  0.70155470  0.15699975  1.0
  Sc  Sc1  1  0.67753504  0.99394875  0.36112033  1.0
  Sc  Sc2  1  0.57287500  0.70294054  0.44281047  1.0
  Sc  Sc3  1  0.42712500  0.29706046  0.55718853  1.0
  Sc  Sc4  1  0.32246496  0.00605025  0.63887867  1.0
  Sc  Sc5  1  0.07072277  0.29844630  0.84299925  1.0
  C  C6  1  0.11360640  0.83432751  0.39288630  1.0
  C  C7  1  0.88639260  0.16567249  0.60711370  1.0
  Cl  Cl8  1  0.45371055  0.84220215  0.06521895  1.0
  Cl  Cl9  1  0.33067487  0.49859933  0.16275041  1.0
  Cl  Cl10  1  0.22213572  0.16343121  0.28084023  1.0
  Cl  Cl11  1  0.99999900  0.49999900  0.50000000  1.0
  Cl  Cl12  1  0.77786528  0.83656979  0.71916077  1.0
  Cl  Cl13  1  0.66932413  0.50139967  0.83724859  1.0
  Cl  Cl14  1  0.54628945  0.15779885  0.93478105  1.0