# generated using pymatgen
data_Li3AlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15539302
_cell_length_b   8.15539298
_cell_length_c   9.73804542
_cell_angle_alpha   85.66482015
_cell_angle_beta   85.66482098
_cell_angle_gamma   61.51340637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3AlF6
_chemical_formula_sum   'Li18 Al6 F36'
_cell_volume   567.05936497
_cell_formula_units_Z   6
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
  Li  Li0  1  0.18669970  0.81330030  0.75000000  1
  Li  Li1  1  0.81330030  0.18669970  0.25000000  1
  Li  Li2  1  0.65667785  0.93853387  0.43236717  1
  Li  Li3  1  0.06146613  0.34332215  0.06763283  1
  Li  Li4  1  0.34332215  0.06146613  0.56763283  1
  Li  Li5  1  0.93853387  0.65667785  0.93236717  1
  Li  Li6  1  0.54080410  0.12384855  0.05186779  1
  Li  Li7  1  0.87615145  0.45919590  0.44813221  1
  Li  Li8  1  0.45919590  0.87615145  0.94813221  1
  Li  Li9  1  0.12384855  0.54080410  0.55186779  1
  Li  Li10  1  0.37063519  0.67323327  0.46299152  1
  Li  Li11  1  0.32676673  0.62936481  0.03700848  1
  Li  Li12  1  0.62936481  0.32676673  0.53700848  1
  Li  Li13  1  0.67323327  0.37063519  0.96299152  1
  Li  Li14  1  0.99337399  0.29017630  0.73155078  1
  Li  Li15  1  0.70982370  0.00662601  0.76844922  1
  Li  Li16  1  0.00662601  0.70982370  0.26844922  1
  Li  Li17  1  0.29017630  0.99337399  0.23155078  1
  Al  Al18  1  -0.00000000  0.00000000  -0.00000000  1
  Al  Al19  1  0.33505598  0.34052876  0.79554342  1
  Al  Al20  1  0.65947124  0.66494402  0.70445658  1
  Al  Al21  1  0.66494402  0.65947124  0.20445658  1
  Al  Al22  1  0.34052876  0.33505598  0.29554342  1
  Al  Al23  1  -0.00000000  0.00000000  0.50000000  1
  F  F24  1  0.56268038  0.24871958  0.20125325  1
  F  F25  1  0.06698213  0.07456918  0.33827125  1
  F  F26  1  0.92543082  0.93301787  0.16172875  1
  F  F27  1  0.93301787  0.92543082  0.66172875  1
  F  F28  1  0.07456918  0.06698213  0.83827125  1
  F  F29  1  0.11308778  0.41535508  0.89123690  1
  F  F30  1  0.43731962  0.75128042  0.79874675  1
  F  F31  1  0.24871958  0.56268038  0.70125325  1
  F  F32  1  0.23148309  0.91190031  0.56320971  1
  F  F33  1  0.75128042  0.43731962  0.29874675  1
  F  F34  1  0.57460017  0.88676784  0.11420408  1
  F  F35  1  0.11323216  0.42539983  0.38579592  1
  F  F36  1  0.42539983  0.11323216  0.88579692  1
  F  F37  1  0.88676784  0.57460017  0.61420308  1
  F  F38  1  0.44790845  0.75354506  0.30375990  1
  F  F39  1  0.24645494  0.55209155  0.19624010  1
  F  F40  1  0.55209155  0.24645494  0.69624010  1
  F  F41  1  0.75354506  0.44790845  0.80375990  1
  F  F42  1  0.27084027  0.23159689  0.16550399  1
  F  F43  1  0.76840311  0.72915973  0.33449601  1
  F  F44  1  0.72915973  0.76840311  0.83449601  1
  F  F45  1  0.88691222  0.58464492  0.10876310  1
  F  F46  1  0.23244115  0.91989856  0.06203571  1
  F  F47  1  0.08010144  0.76755885  0.43796429  1
  F  F48  1  0.76755885  0.08010144  0.93796429  1
  F  F49  1  0.91989856  0.23244115  0.56203571  1
  F  F50  1  0.08809969  0.76851691  0.93679029  1
  F  F51  1  0.23159689  0.27084027  0.66550399  1
  F  F52  1  0.91190031  0.23148309  0.06320971  1
  F  F53  1  0.76851691  0.08809969  0.43679029  1
  F  F54  1  0.41129567  0.42642352  0.43001460  1
  F  F55  1  0.57357648  0.58870433  0.06998540  1
  F  F56  1  0.58870433  0.57357648  0.56998540  1
  F  F57  1  0.42642352  0.41129567  0.93001460  1
  F  F58  1  0.41535508  0.11308778  0.39123690  1
  F  F59  1  0.58464492  0.88691222  0.60876310  1
