# generated using pymatgen
data_K8Sc6BBr20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.53899020
_cell_length_b   11.53899080
_cell_length_c   11.54292646
_cell_angle_alpha   59.98871394
_cell_angle_beta   59.98871224
_cell_angle_gamma   60.02256856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K8Sc6BBr20
_chemical_formula_sum   'K8 Sc6 B1 Br20'
_cell_volume   1086.76700409
_cell_formula_units_Z   1
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  0.07936044  0.63881307  0.64091325  1.0
  K  K1  1  0.63881307  0.07936044  0.64091325  1.0
  K  K2  1  0.64091325  0.64091325  0.07936044  1.0
  K  K3  1  0.64091325  0.64091325  0.63881307  1.0
  K  K4  1  0.36118693  0.92063956  0.35908675  1.0
  K  K5  1  0.92063956  0.36118693  0.35908675  1.0
  K  K6  1  0.35908675  0.35908675  0.92063956  1.0
  K  K7  1  0.35908675  0.35908675  0.36118693  1.0
  Sc  Sc8  1  0.84984729  0.84984729  0.15015271  1.0
  Sc  Sc9  1  0.84940890  0.15059110  0.84940890  1.0
  Sc  Sc10  1  0.15015271  0.15015271  0.84984729  1.0
  Sc  Sc11  1  0.15059110  0.84940890  0.15059110  1.0
  Sc  Sc12  1  0.15059110  0.84940890  0.84940890  1.0
  Sc  Sc13  1  0.84940890  0.15059110  0.15059110  1.0
  B  B14  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br15  1  0.67011445  0.32988555  1.00000000  1.0
  Br  Br16  1  0.00013854  0.66921518  0.99986146  1.0
  Br  Br17  1  1.00000000  1.00000000  0.67011445  1.0
  Br  Br18  1  0.66921518  0.00013854  0.33078482  1.0
  Br  Br19  1  0.32988555  0.67011445  0.00000000  1.0
  Br  Br20  1  0.33078482  0.99986146  0.66921518  1.0
  Br  Br21  1  0.00000000  0.00000000  0.32988555  1.0
  Br  Br22  1  0.99986146  0.33078482  0.00013854  1.0
  Br  Br23  1  0.00013854  0.66921518  0.33078482  1.0
  Br  Br24  1  0.66921518  0.00013854  0.99986146  1.0
  Br  Br25  1  0.99986146  0.33078482  0.66921518  1.0
  Br  Br26  1  0.33078482  0.99986146  0.00013854  1.0
  Br  Br27  1  0.67970655  0.67970655  0.32029345  1.0
  Br  Br28  1  0.67999964  0.32000036  0.67999964  1.0
  Br  Br29  1  0.32029345  0.32029345  0.67970655  1.0
  Br  Br30  1  0.32000036  0.67999964  0.32000036  1.0
  Br  Br31  1  0.32000036  0.67999964  0.67999964  1.0
  Br  Br32  1  0.67999964  0.32000036  0.32000036  1.0
  Br  Br33  1  0.75000000  0.75000000  0.75000000  1.0
  Br  Br34  1  0.25000000  0.25000000  0.25000000  1.0