# generated using pymatgen
data_K6ScSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63690753
_cell_length_b   10.63690736
_cell_length_c   7.92949624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K6ScSe4
_chemical_formula_sum   'K12 Sc2 Se8'
_cell_volume   776.97487310
_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  0.53096108  0.06192015  0.36154520  1.0
  K  K1  1  0.46903892  0.53096108  0.86154520  1.0
  K  K2  1  0.93807985  0.46903892  0.36154520  1.0
  K  K3  1  0.53096108  0.46903892  0.36154520  1.0
  K  K4  1  0.13225658  0.86774342  0.54311912  1.0
  K  K5  1  0.26451216  0.13225658  0.04311912  1.0
  K  K6  1  0.06192015  0.53096108  0.86154520  1.0
  K  K7  1  0.86774342  0.73548784  0.04311912  1.0
  K  K8  1  0.86774342  0.13225658  0.04311912  1.0
  K  K9  1  0.73548784  0.86774342  0.54311912  1.0
  K  K10  1  0.13225658  0.26451216  0.54311912  1.0
  K  K11  1  0.46903892  0.93807985  0.86154520  1.0
  Sc  Sc12  1  0.66666700  0.33333300  0.75774756  1.0
  Sc  Sc13  1  0.33333300  0.66666700  0.25774756  1.0
  Se  Se14  1  0.79850881  0.20149119  0.65089172  1.0
  Se  Se15  1  0.59701861  0.79850881  0.15089172  1.0
  Se  Se16  1  0.20149119  0.40298139  0.15089172  1.0
  Se  Se17  1  0.79850881  0.59701861  0.65089172  1.0
  Se  Se18  1  0.40298139  0.20149119  0.65089172  1.0
  Se  Se19  1  0.20149119  0.79850881  0.15089172  1.0
  Se  Se20  1  0.66666700  0.33333300  0.08268431  1.0
  Se  Se21  1  0.33333300  0.66666700  0.58268431  1.0