# generated using pymatgen
data_LiY9Mg3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67803511
_cell_length_b   9.67803553
_cell_length_c   9.78633305
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY9Mg3Ru
_chemical_formula_sum   'Li2 Y18 Mg6 Ru2'
_cell_volume   793.82548018
_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  0.00000000  0.00000000  0.50000000  1.0
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y2  1  0.21017166  0.78982834  0.43957471  1.0
  Y  Y3  1  0.21017166  0.42034532  0.43957471  1.0
  Y  Y4  1  0.57965468  0.78982834  0.43957471  1.0
  Y  Y5  1  0.78982834  0.21017166  0.56042529  1.0
  Y  Y6  1  0.78982834  0.57965468  0.56042529  1.0
  Y  Y7  1  0.42034532  0.21017166  0.56042529  1.0
  Y  Y8  1  0.78982834  0.21017166  0.93957471  1.0
  Y  Y9  1  0.78982834  0.57965468  0.93957471  1.0
  Y  Y10  1  0.42034532  0.21017166  0.93957471  1.0
  Y  Y11  1  0.21017166  0.78982834  0.06042529  1.0
  Y  Y12  1  0.21017166  0.42034532  0.06042529  1.0
  Y  Y13  1  0.57965468  0.78982834  0.06042529  1.0
  Y  Y14  1  0.54204270  0.45795730  0.25000000  1.0
  Y  Y15  1  0.54204270  0.08408641  0.25000000  1.0
  Y  Y16  1  0.91591359  0.45795730  0.25000000  1.0
  Y  Y17  1  0.45795730  0.54204270  0.75000000  1.0
  Y  Y18  1  0.45795730  0.91591359  0.75000000  1.0
  Y  Y19  1  0.08408641  0.54204270  0.75000000  1.0
  Mg  Mg20  1  0.89351361  0.10648639  0.25000000  1.0
  Mg  Mg21  1  0.89351361  0.78702721  0.25000000  1.0
  Mg  Mg22  1  0.21297279  0.10648639  0.25000000  1.0
  Mg  Mg23  1  0.10648639  0.89351361  0.75000000  1.0
  Mg  Mg24  1  0.10648639  0.21297279  0.75000000  1.0
  Mg  Mg25  1  0.78702721  0.89351361  0.75000000  1.0
  Ru  Ru26  1  0.33333300  0.66666700  0.25000000  1.0
  Ru  Ru27  1  0.66666700  0.33333300  0.75000000  1.0