# generated using pymatgen
data_K3Ba3Li2Al4B6O20F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77547583
_cell_length_b   8.77547583
_cell_length_c   16.44718417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Ba3Li2Al4B6O20F
_chemical_formula_sum   'K6 Ba6 Li4 Al8 B12 O40 F2'
_cell_volume   1096.89120363
_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  1.00000000  0.29380830  0.50000000  1
  K  K1  1  0.70619170  0.70619170  0.50000000  1
  K  K2  1  0.29380830  1.00000000  0.50000000  1
  K  K3  1  1.00000000  0.29380830  0.00000000  1
  K  K4  1  0.70619170  0.70619170  0.00000000  1
  K  K5  1  0.29380830  1.00000000  0.00000000  1
  Ba  Ba6  1  0.98811560  0.30461720  0.25000000  1
  Ba  Ba7  1  0.69538280  0.68349840  0.25000000  1
  Ba  Ba8  1  0.31650160  0.01188440  0.25000000  1
  Ba  Ba9  1  0.30461720  0.98811560  0.75000000  1
  Ba  Ba10  1  0.68349840  0.69538280  0.75000000  1
  Ba  Ba11  1  0.01188440  0.31650160  0.75000000  1
  Li  Li12  1  -0.00000000  -0.00000000  0.11067300  1
  Li  Li13  1  -0.00000000  -0.00000000  0.38932700  1
  Li  Li14  1  -0.00000000  -0.00000000  0.61067300  1
  Li  Li15  1  -0.00000000  -0.00000000  0.88932700  1
  Al  Al16  1  0.66666700  0.33333300  0.10375874  1
  Al  Al17  1  0.66666700  0.33333300  0.39624126  1
  Al  Al18  1  0.33333300  0.66666700  0.60375874  1
  Al  Al19  1  0.33333300  0.66666700  0.89624126  1
  Al  Al20  1  0.33333300  0.66666700  0.10431607  1
  Al  Al21  1  0.33333300  0.66666700  0.39568393  1
  Al  Al22  1  0.66666700  0.33333300  0.60431607  1
  Al  Al23  1  0.66666700  0.33333300  0.89568393  1
  B  B24  1  0.65094072  0.99417917  0.14084464  1
  B  B25  1  0.00582083  0.65676155  0.14084464  1
  B  B26  1  0.34323845  0.34905928  0.14084464  1
  B  B27  1  0.65094072  0.99417917  0.35915536  1
  B  B28  1  0.00582083  0.65676155  0.35915536  1
  B  B29  1  0.34323845  0.34905928  0.35915536  1
  B  B30  1  0.99417917  0.65094072  0.64084464  1
  B  B31  1  0.65676155  0.00582083  0.64084464  1
  B  B32  1  0.34905928  0.34323845  0.64084464  1
  B  B33  1  0.99417917  0.65094072  0.85915536  1
  B  B34  1  0.65676155  0.00582083  0.85915536  1
  B  B35  1  0.34905928  0.34323845  0.85915536  1
  O  O36  1  0.46868882  0.88202000  0.14085467  1
  O  O37  1  0.11798000  0.58666882  0.14085467  1
  O  O38  1  0.41333118  0.53131118  0.14085467  1
  O  O39  1  0.46868882  0.88202000  0.35914533  1
  O  O40  1  0.11798000  0.58666882  0.35914533  1
  O  O41  1  0.41333118  0.53131118  0.35914533  1
  O  O42  1  0.88202000  0.46868882  0.64085467  1
  O  O43  1  0.58666882  0.11798000  0.64085467  1
  O  O44  1  0.53131118  0.41333118  0.64085467  1
  O  O45  1  0.88202000  0.46868882  0.85914533  1
  O  O46  1  0.58666882  0.11798000  0.85914533  1
  O  O47  1  0.53131118  0.41333118  0.85914533  1
  O  O48  1  0.70937487  0.17392395  0.14336381  1
  O  O49  1  0.82607605  0.53545092  0.14336381  1
  O  O50  1  0.46454908  0.29062513  0.14336381  1
  O  O51  1  0.70937487  0.17392395  0.35663619  1
  O  O52  1  0.82607605  0.53545092  0.35663619  1
  O  O53  1  0.46454908  0.29062513  0.35663619  1
  O  O54  1  0.17392395  0.70937487  0.64336381  1
  O  O55  1  0.53545092  0.82607605  0.64336381  1
  O  O56  1  0.29062513  0.46454908  0.64336381  1
  O  O57  1  0.17392395  0.70937487  0.85663619  1
  O  O58  1  0.53545092  0.82607605  0.85663619  1
  O  O59  1  0.29062513  0.46454908  0.85663619  1
  O  O60  1  0.33333300  0.66666700  0.00006726  1
  O  O61  1  0.33333300  0.66666700  0.49993274  1
  O  O62  1  0.66666700  0.33333300  0.50006726  1
  O  O63  1  0.66666700  0.33333300  -0.00006726  1
  O  O64  1  0.76702082  0.93728931  0.14360372  1
  O  O65  1  0.06271069  0.82973151  0.14360372  1
  O  O66  1  0.17026849  0.23297918  0.14360372  1
  O  O67  1  0.76702082  0.93728931  0.35639628  1
  O  O68  1  0.06271069  0.82973151  0.35639628  1
  O  O69  1  0.17026849  0.23297918  0.35639628  1
  O  O70  1  0.93728931  0.76702082  0.64360372  1
  O  O71  1  0.82973151  0.06271069  0.64360372  1
  O  O72  1  0.23297918  0.17026849  0.64360372  1
  O  O73  1  0.93728931  0.76702082  0.85639628  1
  O  O74  1  0.82973151  0.06271069  0.85639628  1
  O  O75  1  0.23297918  0.17026849  0.85639628  1
  F  F76  1  -0.00000000  -0.00000000  0.00000000  1
  F  F77  1  -0.00000000  -0.00000000  0.50000000  1
