# generated using pymatgen
data_K(ScI3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16263555
_cell_length_b   8.16263552
_cell_length_c   13.83367749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(ScI3)2
_chemical_formula_sum   'K2 Sc4 I12'
_cell_volume   798.23197947
_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
  K  K0  1  0.33333300  0.66666700  0.87483487  1.0
  K  K1  1  0.66666700  0.33333300  0.37483487  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.12544696  1.0
  Sc  Sc3  1  0.00000000  0.00000000  0.37589609  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.62544696  1.0
  Sc  Sc5  1  0.00000000  0.00000000  0.87589609  1.0
  I  I6  1  0.97955362  0.70022545  0.00187423  1.0
  I  I7  1  0.27846531  0.97822947  0.24930946  1.0
  I  I8  1  0.02177053  0.30023584  0.24930946  1.0
  I  I9  1  0.29977455  0.27932917  0.00187423  1.0
  I  I10  1  0.27932917  0.29977455  0.50187423  1.0
  I  I11  1  0.72067083  0.02044638  0.00187423  1.0
  I  I12  1  0.30023584  0.02177053  0.74930946  1.0
  I  I13  1  0.69976416  0.72153469  0.24930946  1.0
  I  I14  1  0.72153469  0.69976416  0.74930946  1.0
  I  I15  1  0.02044638  0.72067083  0.50187423  1.0
  I  I16  1  0.70022545  0.97955362  0.50187423  1.0
  I  I17  1  0.97822947  0.27846531  0.74930946  1.0