# generated using pymatgen
data_Li3AlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83263011
_cell_length_b   8.15155685
_cell_length_c   9.39960853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3AlF6
_chemical_formula_sum   'Li12 Al4 F24'
_cell_volume   370.28309396
_cell_formula_units_Z   4
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  0.99126856  0.14749337  0.12553366  1
  Li  Li1  1  0.00550055  0.45481789  0.89376564  1
  Li  Li2  1  0.99126856  0.35250663  0.62553366  1
  Li  Li3  1  0.50550055  0.54518211  0.10623436  1
  Li  Li4  1  0.99726583  0.04755427  0.85521863  1
  Li  Li5  1  0.49726583  0.95244573  0.14478137  1
  Li  Li6  1  0.49126856  0.85250663  0.87446634  1
  Li  Li7  1  0.49126856  0.64749337  0.37446634  1
  Li  Li8  1  0.50550055  0.95481789  0.60623436  1
  Li  Li9  1  0.49726583  0.54755427  0.64478137  1
  Li  Li10  1  0.00550055  0.04518211  0.39376564  1
  Li  Li11  1  0.99726583  0.45244573  0.35521863  1
  Al  Al12  1  0.00007068  0.75964800  0.12799378  1
  Al  Al13  1  0.50007068  0.24035200  0.87200622  1
  Al  Al14  1  0.50007068  0.25964800  0.37200622  1
  Al  Al15  1  0.00007068  0.74035200  0.62799378  1
  F  F16  1  0.30536494  0.73248717  0.73702904  1
  F  F17  1  0.35971537  0.06542911  0.77518148  1
  F  F18  1  0.68823328  0.74370000  0.52334838  1
  F  F19  1  0.65052660  0.40394465  0.97194352  1
  F  F20  1  0.15052660  0.59605535  0.02805648  1
  F  F21  1  0.82492615  0.61760142  0.24630784  1
  F  F22  1  0.68823328  0.75630000  0.02334838  1
  F  F23  1  0.65052660  0.09605535  0.47194352  1
  F  F24  1  0.18823328  0.25630000  0.47665162  1
  F  F25  1  0.32492615  0.38239858  0.75369216  1
  F  F26  1  0.16996105  0.90976795  0.01126479  1
  F  F27  1  0.15052660  0.90394465  0.52805648  1
  F  F28  1  0.16996105  0.59023205  0.51126479  1
  F  F29  1  0.35971537  0.43457089  0.27518148  1
  F  F30  1  0.30536494  0.76751283  0.23702904  1
  F  F31  1  0.85971537  0.93457089  0.22481852  1
  F  F32  1  0.66996105  0.40976795  0.48873521  1
  F  F33  1  0.32492615  0.11760142  0.25369216  1
  F  F34  1  0.85971537  0.56542911  0.72481852  1
  F  F35  1  0.18823328  0.24370000  0.97665162  1
  F  F36  1  0.80536494  0.26751283  0.26297096  1
  F  F37  1  0.66996105  0.09023205  0.98873521  1
  F  F38  1  0.80536494  0.23248717  0.76297096  1
  F  F39  1  0.82492615  0.88239858  0.74630784  1
