# generated using pymatgen
data_K6ScS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24739219
_cell_length_b   10.24739102
_cell_length_c   7.66068051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K6ScS4
_chemical_formula_sum   'K12 Sc2 S8'
_cell_volume   696.66606910
_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  0.53225777  0.06451455  0.36052427  1.0
  K  K1  1  0.46774223  0.53225777  0.86052427  1.0
  K  K2  1  0.93548545  0.46774223  0.36052427  1.0
  K  K3  1  0.53225777  0.46774223  0.36052427  1.0
  K  K4  1  0.13158236  0.86841764  0.54289695  1.0
  K  K5  1  0.26316372  0.13158236  0.04289695  1.0
  K  K6  1  0.06451455  0.53225777  0.86052427  1.0
  K  K7  1  0.86841764  0.73683628  0.04289695  1.0
  K  K8  1  0.86841764  0.13158236  0.04289695  1.0
  K  K9  1  0.73683628  0.86841764  0.54289695  1.0
  K  K10  1  0.13158236  0.26316372  0.54289695  1.0
  K  K11  1  0.46774223  0.93548545  0.86052427  1.0
  Sc  Sc12  1  0.66666700  0.33333300  0.75965617  1.0
  Sc  Sc13  1  0.33333300  0.66666700  0.25965617  1.0
  S  S14  1  0.79651582  0.20348418  0.65220423  1.0
  S  S15  1  0.59303265  0.79651582  0.15220423  1.0
  S  S16  1  0.20348418  0.40696735  0.15220423  1.0
  S  S17  1  0.79651582  0.59303265  0.65220423  1.0
  S  S18  1  0.40696735  0.20348418  0.65220423  1.0
  S  S19  1  0.20348418  0.79651582  0.15220423  1.0
  S  S20  1  0.66666700  0.33333300  0.08057048  1.0
  S  S21  1  0.33333300  0.66666700  0.58057048  1.0