# generated using pymatgen
data_Sc4NCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49215082
_cell_length_b   11.55839449
_cell_length_c   12.06368771
_cell_angle_alpha   90.00014314
_cell_angle_beta   90.00008460
_cell_angle_gamma   89.99996687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4NCl6
_chemical_formula_sum   'Sc8 N2 Cl12'
_cell_volume   486.93455042
_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  -0.00000016  0.10122421  0.07787188  1.0
  Sc  Sc1  1  0.00000015  0.89876743  0.92214387  1.0
  Sc  Sc2  1  0.00000052  0.60127086  0.42208868  1.0
  Sc  Sc3  1  0.00000065  0.39872295  0.57789336  1.0
  Sc  Sc4  1  0.50000072  0.12003861  0.85648287  1.0
  Sc  Sc5  1  0.49999994  0.87996956  0.14352810  1.0
  Sc  Sc6  1  0.50000011  0.62005434  0.64354111  1.0
  Sc  Sc7  1  0.50000036  0.37995508  0.35645526  1.0
  N  N8  1  0.50000014  0.99999828  0.00000406  1.0
  N  N9  1  0.49999853  0.49999757  0.49999631  1.0
  Cl  Cl10  1  0.49999905  0.26553739  0.67716559  1.0
  Cl  Cl11  1  0.50000060  0.73446060  0.32282678  1.0
  Cl  Cl12  1  0.49999974  0.76553363  0.82282622  1.0
  Cl  Cl13  1  0.50000034  0.23446307  0.17717537  1.0
  Cl  Cl14  1  -0.00000006  0.25981853  0.93001704  1.0
  Cl  Cl15  1  0.00000017  0.74017339  0.06998743  1.0
  Cl  Cl16  1  0.00000017  0.48532044  0.24138378  1.0
  Cl  Cl17  1  -0.00000064  0.51468256  0.75862093  1.0
  Cl  Cl18  1  -0.00000000  0.98530986  0.25862521  1.0
  Cl  Cl19  1  -0.00000010  0.01468933  0.74137332  1.0
  Cl  Cl20  1  -0.00000053  0.24017596  0.43000615  1.0
  Cl  Cl21  1  0.00000028  0.75983638  0.56998567  1.0