# generated using pymatgen
data_Sc7CCl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07805621
_cell_length_b   8.07805618
_cell_length_c   8.07805678
_cell_angle_alpha   107.42233374
_cell_angle_beta   107.42233251
_cell_angle_gamma   107.42233442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc7CCl12
_chemical_formula_sum   'Sc7 C1 Cl12'
_cell_volume   433.84484651
_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  0.30540343  0.02938921  0.10235585  1.0
  Sc  Sc1  1  0.02938921  0.10235585  0.30540343  1.0
  Sc  Sc2  1  0.10235585  0.30540343  0.02938921  1.0
  Sc  Sc3  1  0.69459657  0.97061079  0.89764415  1.0
  Sc  Sc4  1  0.97061079  0.89764415  0.69459657  1.0
  Sc  Sc5  1  0.89764415  0.69459657  0.97061079  1.0
  Sc  Sc6  1  0.50000000  0.50000000  0.50000000  1.0
  C  C7  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl8  1  0.46218564  0.38314877  0.15366403  1.0
  Cl  Cl9  1  0.38314877  0.15366403  0.46218564  1.0
  Cl  Cl10  1  0.15366403  0.46218564  0.38314877  1.0
  Cl  Cl11  1  0.53781436  0.61685123  0.84633597  1.0
  Cl  Cl12  1  0.61685123  0.84633597  0.53781436  1.0
  Cl  Cl13  1  0.84633597  0.53781436  0.61685123  1.0
  Cl  Cl14  1  0.22325406  0.68584642  0.07658517  1.0
  Cl  Cl15  1  0.07658517  0.22325406  0.68584642  1.0
  Cl  Cl16  1  0.68584642  0.07658517  0.22325406  1.0
  Cl  Cl17  1  0.77674594  0.31415358  0.92341483  1.0
  Cl  Cl18  1  0.92341483  0.77674594  0.31415358  1.0
  Cl  Cl19  1  0.31415358  0.92341483  0.77674594  1.0