# generated using pymatgen
data_LiSc(Sn4Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43047909
_cell_length_b   7.43047820
_cell_length_c   7.43047835
_cell_angle_alpha   126.34085661
_cell_angle_beta   126.34084657
_cell_angle_gamma   79.32864299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc(Sn4Ru)2
_chemical_formula_sum   'Li1 Sc1 Sn8 Ru2'
_cell_volume   257.33025441
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.69976165  0.51266146  0.49022744  1.0
  Sn  Sn3  1  0.51266146  0.02243402  0.81289981  1.0
  Sn  Sn4  1  0.20953421  0.69976165  0.18710019  1.0
  Sn  Sn5  1  0.79046579  0.30023835  0.81289981  1.0
  Sn  Sn6  1  0.48733854  0.97756598  0.18710019  1.0
  Sn  Sn7  1  0.30023835  0.48733854  0.50977256  1.0
  Sn  Sn8  1  0.97756598  0.79046579  0.49022744  1.0
  Sn  Sn9  1  0.02243402  0.20953421  0.50977256  1.0
  Ru  Ru10  1  0.24799255  0.24799255  1.00000000  1.0
  Ru  Ru11  1  0.75200745  0.75200745  0.00000000  1.0