# generated using pymatgen
data_LiSc5Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22637633
_cell_length_b   3.22637633
_cell_length_c   17.09982639
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc5Ru4
_chemical_formula_sum   'Li1 Sc5 Ru4'
_cell_volume   178.00071551
_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  0.86557248  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.13442752  1.0
  Sc  Sc3  1  0.00000000  0.00000000  0.31660384  1.0
  Sc  Sc4  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc5  1  0.00000000  0.00000000  0.68339616  1.0
  Ru  Ru6  1  0.50000000  0.50000000  0.21590409  1.0
  Ru  Ru7  1  0.50000000  0.50000000  0.40613790  1.0
  Ru  Ru8  1  0.50000000  0.50000000  0.59386210  1.0
  Ru  Ru9  1  0.50000000  0.50000000  0.78409591  1.0