# generated using pymatgen
data_LiLu4Sc5Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90255901
_cell_length_b   7.31069033
_cell_length_c   13.88211097
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.97755146
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLu4Sc5Si8
_chemical_formula_sum   'Li2 Lu8 Sc10 Si16'
_cell_volume   700.52557392
_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  0.16290055  0.51019227  0.75000000  1.0
  Li  Li1  1  0.83709945  0.48980773  0.25000000  1.0
  Lu  Lu2  1  0.01063027  0.18622763  0.09727113  1.0
  Lu  Lu3  1  0.98936973  0.81377237  0.90272887  1.0
  Lu  Lu4  1  0.48673492  0.67447038  0.90414632  1.0
  Lu  Lu5  1  0.98936973  0.81377237  0.59727113  1.0
  Lu  Lu6  1  0.51326508  0.32552962  0.09585368  1.0
  Lu  Lu7  1  0.01063027  0.18622763  0.40272887  1.0
  Lu  Lu8  1  0.51326508  0.32552962  0.40414632  1.0
  Lu  Lu9  1  0.48673492  0.67447038  0.59585368  1.0
  Sc  Sc10  1  0.34241013  0.00627396  0.25000000  1.0
  Sc  Sc11  1  0.65758987  0.99372604  0.75000000  1.0
  Sc  Sc12  1  0.32401179  0.18131044  0.62626154  1.0
  Sc  Sc13  1  0.67598821  0.81868956  0.37373846  1.0
  Sc  Sc14  1  0.16367151  0.67611837  0.37274571  1.0
  Sc  Sc15  1  0.67598821  0.81868956  0.12626154  1.0
  Sc  Sc16  1  0.83632849  0.32388163  0.62725429  1.0
  Sc  Sc17  1  0.32401179  0.18131044  0.87373846  1.0
  Sc  Sc18  1  0.83632849  0.32388163  0.87274571  1.0
  Sc  Sc19  1  0.16367151  0.67611837  0.12725429  1.0
  Si  Si20  1  0.02841660  0.09275377  0.75000000  1.0
  Si  Si21  1  0.97158340  0.90724623  0.25000000  1.0
  Si  Si22  1  0.46651488  0.61007299  0.25000000  1.0
  Si  Si23  1  0.53348512  0.38992701  0.75000000  1.0
  Si  Si24  1  0.28596733  0.87073498  0.75000000  1.0
  Si  Si25  1  0.71403267  0.12926502  0.25000000  1.0
  Si  Si26  1  0.22294149  0.36960770  0.25000000  1.0
  Si  Si27  1  0.77705851  0.63039230  0.75000000  1.0
  Si  Si28  1  0.16299340  0.46320695  0.53303794  1.0
  Si  Si29  1  0.83700660  0.53679305  0.46696206  1.0
  Si  Si30  1  0.34210583  0.96845787  0.46115476  1.0
  Si  Si31  1  0.83700660  0.53679305  0.03303794  1.0
  Si  Si32  1  0.65789417  0.03154213  0.53884524  1.0
  Si  Si33  1  0.16299340  0.46320695  0.96696206  1.0
  Si  Si34  1  0.65789417  0.03154213  0.96115476  1.0
  Si  Si35  1  0.34210583  0.96845787  0.03884524  1.0