# generated using pymatgen
data_Sc4AsCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71836552
_cell_length_b   12.24641723
_cell_length_c   12.67683243
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4AsCl6
_chemical_formula_sum   'Sc8 As2 Cl12'
_cell_volume   577.26055168
_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  0.11331195  0.09018085  1.0
  Sc  Sc1  1  0.00000000  0.88668805  0.90981915  1.0
  Sc  Sc2  1  0.00000000  0.61331195  0.40981915  1.0
  Sc  Sc3  1  0.00000000  0.38668805  0.59018085  1.0
  Sc  Sc4  1  0.50000000  0.13214782  0.84510884  1.0
  Sc  Sc5  1  0.50000000  0.86785218  0.15489116  1.0
  Sc  Sc6  1  0.50000000  0.63214782  0.65489116  1.0
  Sc  Sc7  1  0.50000000  0.36785218  0.34510884  1.0
  As  As8  1  0.50000000  0.00000000  0.00000000  1.0
  As  As9  1  0.50000000  0.50000000  0.50000000  1.0
  Cl  Cl10  1  0.50000000  0.26618788  0.68335545  1.0
  Cl  Cl11  1  0.50000000  0.73381212  0.31664455  1.0
  Cl  Cl12  1  0.50000000  0.76618788  0.81664455  1.0
  Cl  Cl13  1  0.50000000  0.23381212  0.18335545  1.0
  Cl  Cl14  1  0.00000000  0.25339729  0.92877020  1.0
  Cl  Cl15  1  0.00000000  0.74660271  0.07122980  1.0
  Cl  Cl16  1  0.00000000  0.47682422  0.24640543  1.0
  Cl  Cl17  1  0.00000000  0.52317578  0.75359457  1.0
  Cl  Cl18  1  0.00000000  0.97682422  0.25359457  1.0
  Cl  Cl19  1  0.00000000  0.02317578  0.74640543  1.0
  Cl  Cl20  1  0.00000000  0.24660271  0.42877020  1.0
  Cl  Cl21  1  0.00000000  0.75339729  0.57122980  1.0