# generated using pymatgen
data_LiTm4Sc5Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93727861
_cell_length_b   7.34027195
_cell_length_c   13.93836543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96434376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTm4Sc5Si8
_chemical_formula_sum   'Li2 Tm8 Sc10 Si16'
_cell_volume   709.76249949
_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
  Li  Li0  1  0.16265001  0.51012166  0.75000000  1.0
  Li  Li1  1  0.83734999  0.48987834  0.25000000  1.0
  Tm  Tm2  1  0.01071381  0.18530266  0.09765803  1.0
  Tm  Tm3  1  0.98928619  0.81469734  0.90234197  1.0
  Tm  Tm4  1  0.48592617  0.67462392  0.90353923  1.0
  Tm  Tm5  1  0.98928619  0.81469734  0.59765803  1.0
  Tm  Tm6  1  0.51407383  0.32537608  0.09646077  1.0
  Tm  Tm7  1  0.01071381  0.18530266  0.40234197  1.0
  Tm  Tm8  1  0.51407383  0.32537608  0.40353923  1.0
  Tm  Tm9  1  0.48592617  0.67462392  0.59646077  1.0
  Sc  Sc10  1  0.34193876  0.00513673  0.25000000  1.0
  Sc  Sc11  1  0.65806124  0.99486327  0.75000000  1.0
  Sc  Sc12  1  0.32436816  0.18177206  0.62602918  1.0
  Sc  Sc13  1  0.67563184  0.81822794  0.37397082  1.0
  Sc  Sc14  1  0.16380268  0.67579188  0.37283767  1.0
  Sc  Sc15  1  0.67563184  0.81822794  0.12602918  1.0
  Sc  Sc16  1  0.83619732  0.32420812  0.62716233  1.0
  Sc  Sc17  1  0.32436816  0.18177206  0.87397082  1.0
  Sc  Sc18  1  0.83619732  0.32420812  0.87283767  1.0
  Sc  Sc19  1  0.16380268  0.67579188  0.12716233  1.0
  Si  Si20  1  0.02886373  0.09584090  0.75000000  1.0
  Si  Si21  1  0.97113627  0.90415910  0.25000000  1.0
  Si  Si22  1  0.46565008  0.61146451  0.25000000  1.0
  Si  Si23  1  0.53434992  0.38853549  0.75000000  1.0
  Si  Si24  1  0.28617768  0.87443029  0.75000000  1.0
  Si  Si25  1  0.71382232  0.12556971  0.25000000  1.0
  Si  Si26  1  0.22344162  0.37052665  0.25000000  1.0
  Si  Si27  1  0.77655838  0.62947335  0.75000000  1.0
  Si  Si28  1  0.16172706  0.46292011  0.53308327  1.0
  Si  Si29  1  0.83827294  0.53707989  0.46691673  1.0
  Si  Si30  1  0.34281720  0.96785191  0.46115785  1.0
  Si  Si31  1  0.83827294  0.53707989  0.03308327  1.0
  Si  Si32  1  0.65718280  0.03214809  0.53884215  1.0
  Si  Si33  1  0.16172706  0.46292011  0.96691673  1.0
  Si  Si34  1  0.65718280  0.03214809  0.96115785  1.0
  Si  Si35  1  0.34281720  0.96785191  0.03884215  1.0