# generated using pymatgen
data_LiEr4Sc5Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95577362
_cell_length_b   7.35635441
_cell_length_c   13.96564995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95140461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiEr4Sc5Si8
_chemical_formula_sum   'Li2 Er8 Sc10 Si16'
_cell_volume   714.60998380
_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  0.16238047  0.51025375  0.75000000  1.0
  Li  Li1  1  0.83761953  0.48974625  0.25000000  1.0
  Er  Er2  1  0.01101582  0.18513549  0.09797984  1.0
  Er  Er3  1  0.98898418  0.81486451  0.90202016  1.0
  Er  Er4  1  0.48526610  0.67465840  0.90320126  1.0
  Er  Er5  1  0.98898418  0.81486451  0.59797984  1.0
  Er  Er6  1  0.51473390  0.32534160  0.09679874  1.0
  Er  Er7  1  0.01101582  0.18513549  0.40202016  1.0
  Er  Er8  1  0.51473390  0.32534160  0.40320126  1.0
  Er  Er9  1  0.48526610  0.67465840  0.59679874  1.0
  Sc  Sc10  1  0.34175824  0.00462415  0.25000000  1.0
  Sc  Sc11  1  0.65824176  0.99537585  0.75000000  1.0
  Sc  Sc12  1  0.32441710  0.18235169  0.62600676  1.0
  Sc  Sc13  1  0.67558290  0.81764831  0.37399324  1.0
  Sc  Sc14  1  0.16379520  0.67586475  0.37295464  1.0
  Sc  Sc15  1  0.67558290  0.81764831  0.12600676  1.0
  Sc  Sc16  1  0.83620480  0.32413525  0.62704536  1.0
  Sc  Sc17  1  0.32441710  0.18235169  0.87399324  1.0
  Sc  Sc18  1  0.83620480  0.32413525  0.87295464  1.0
  Sc  Sc19  1  0.16379520  0.67586475  0.12704536  1.0
  Si  Si20  1  0.02899394  0.09717609  0.75000000  1.0
  Si  Si21  1  0.97100606  0.90282391  0.25000000  1.0
  Si  Si22  1  0.46501942  0.61239518  0.25000000  1.0
  Si  Si23  1  0.53498058  0.38760482  0.75000000  1.0
  Si  Si24  1  0.28611251  0.87656084  0.75000000  1.0
  Si  Si25  1  0.71388749  0.12343916  0.25000000  1.0
  Si  Si26  1  0.22417203  0.37125464  0.25000000  1.0
  Si  Si27  1  0.77582797  0.62874536  0.75000000  1.0
  Si  Si28  1  0.16106642  0.46290614  0.53304773  1.0
  Si  Si29  1  0.83893358  0.53709386  0.46695227  1.0
  Si  Si30  1  0.34340273  0.96782904  0.46123601  1.0
  Si  Si31  1  0.83893358  0.53709386  0.03304773  1.0
  Si  Si32  1  0.65659727  0.03217096  0.53876399  1.0
  Si  Si33  1  0.16106642  0.46290614  0.96695227  1.0
  Si  Si34  1  0.65659727  0.03217096  0.96123601  1.0
  Si  Si35  1  0.34340273  0.96782904  0.03876399  1.0