# generated using pymatgen
data_LiAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41692416
_cell_length_b   9.31545449
_cell_length_c   9.31545536
_cell_angle_alpha   56.57560524
_cell_angle_beta   56.00499855
_cell_angle_gamma   56.00500149
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Ru
_chemical_formula_sum   'Li1 Al2 Ru1'
_cell_volume   582.85802823
_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  0.00000000  0.00000000  0.00000000  1
  Al  Al1  1  0.72811900  0.00000000  0.00000000  1
  Al  Al2  1  0.27188100  0.00000000  0.00000000  1
  Ru  Ru3  1  0.50000000  0.00000000  0.00000000  1
