# generated using pymatgen
data_Li3ScF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70114707
_cell_length_b   8.70113318
_cell_length_c   9.35153586
_cell_angle_alpha   89.99890502
_cell_angle_beta   90.00118495
_cell_angle_gamma   119.99823502
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ScF6
_chemical_formula_sum   'Li18 Sc6 F36'
_cell_volume   613.15972993
_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  0.34204074  0.35695758  0.96704172  1
  Li  Li1  1  0.69610041  -0.00005268  0.24998536  1
  Li  Li2  1  0.69611935  0.69612613  0.74999914  1
  Li  Li3  1  0.98509600  0.64304076  0.53295846  1
  Li  Li4  1  0.65794478  0.64304110  0.03295031  1
  Li  Li5  1  0.34205294  0.98508606  0.46705267  1
  Li  Li6  1  0.64303520  0.65795485  0.46704444  1
  Li  Li7  1  0.30387817  0.30388256  0.24999906  1
  Li  Li8  1  -0.00005265  0.69610088  0.25001454  1
  Li  Li9  1  0.30390717  0.00005812  0.75001544  1
  Li  Li10  1  0.01490508  0.35694879  0.46703779  1
  Li  Li11  1  0.35695940  0.01491047  0.03295769  1
  Li  Li12  1  0.01492462  0.65795489  0.96705985  1
  Li  Li13  1  0.65796611  0.01492790  0.53294850  1
  Li  Li14  1  0.98508147  0.34204089  0.03295186  1
  Li  Li15  1  0.64305339  0.98510427  0.96703733  1
  Li  Li16  1  0.00004765  0.30389868  0.74998747  1
  Li  Li17  1  0.35694911  0.34204148  0.53295638  1
  Sc  Sc18  1  0.66665784  0.33331073  0.25902485  1
  Sc  Sc19  1  0.66668350  0.33333243  0.75902500  1
  Sc  Sc20  1  0.00000293  0.00002662  0.00001250  1
  Sc  Sc21  1  0.33332790  0.66665472  0.24097403  1
  Sc  Sc22  1  -0.00000216  0.00002912  0.49999445  1
  Sc  Sc23  1  0.33333220  0.66666879  0.74097363  1
  F  F24  1  0.88049047  0.77017737  0.88985469  1
  F  F25  1  0.78676341  0.55609782  0.13705064  1
  F  F26  1  0.44388901  0.23065307  0.13705429  1
  F  F27  1  0.11951857  0.88966493  0.61014306  1
  F  F28  1  0.78678928  0.23066998  0.63705838  1
  F  F29  1  0.88048958  0.11030982  0.38986086  1
  F  F30  1  0.55610456  0.76934425  0.86294297  1
  F  F31  1  0.77017458  0.88965672  0.11013703  1
  F  F32  1  0.56964508  0.10844826  0.37907612  1
  F  F33  1  0.88967564  0.11950517  0.88985800  1
  F  F34  1  0.11032967  0.22981409  0.61013663  1
  F  F35  1  0.76933115  0.21320839  0.13705763  1
  F  F36  1  0.53878952  0.10845951  0.87906977  1
  F  F37  1  0.21321112  0.76933653  0.36293950  1
  F  F38  1  0.89155535  0.46121843  0.37906124  1
  F  F39  1  0.11032188  0.88047907  0.11014616  1
  F  F40  1  0.77018285  0.88049629  0.61014450  1
  F  F41  1  0.44390350  0.21323874  0.63705164  1
  F  F42  1  0.22981502  0.11949720  0.38986067  1
  F  F43  1  0.43036191  0.89156035  0.62092851  1
  F  F44  1  0.22982283  0.11032867  0.88986454  1
  F  F45  1  0.11949583  0.22981488  0.11014380  1
  F  F46  1  0.46121575  0.89154790  0.12092799  1
  F  F47  1  0.89155025  0.43036152  0.87907743  1
  F  F48  1  0.76935111  0.55611075  0.63705144  1
  F  F49  1  0.23065730  0.44389359  0.36294771  1
  F  F50  1  0.10845028  0.56964872  0.12092353  1
  F  F51  1  0.23066592  0.78679582  0.86294073  1
  F  F52  1  0.21323139  0.44390227  0.86294394  1
  F  F53  1  0.10845013  0.53879114  0.62093284  1
  F  F54  1  0.88965993  0.77016363  0.38986045  1
  F  F55  1  0.56966314  0.46120230  0.87906344  1
  F  F56  1  0.53879859  0.43034382  0.37905661  1
  F  F57  1  0.46120018  0.56965748  0.62094577  1
  F  F58  1  0.43033885  0.53880028  0.12093598  1
  F  F59  1  0.55609523  0.78675808  0.36295003  1
