# generated using pymatgen
data_Sr3LiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75347932
_cell_length_b   6.75347932
_cell_length_c   6.75347927
_cell_angle_alpha   92.27915680
_cell_angle_beta   92.27915680
_cell_angle_gamma   92.27916466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3LiRuO6
_chemical_formula_sum   'Sr6 Li2 Ru2 O12'
_cell_volume   307.27169272
_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
  Sr  Sr0  1  0.89169500  0.60830500  0.25000000  1
  Sr  Sr1  1  0.60830500  0.25000000  0.89169500  1
  Sr  Sr2  1  0.75000000  0.10830500  0.39169500  1
  Sr  Sr3  1  0.39169500  0.75000000  0.10830500  1
  Sr  Sr4  1  0.10830500  0.39169500  0.75000000  1
  Sr  Sr5  1  0.25000000  0.89169500  0.60830500  1
  Li  Li6  1  0.25000000  0.25000000  0.25000000  1
  Li  Li7  1  0.75000000  0.75000000  0.75000000  1
  Ru  Ru8  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru9  1  0.50000000  0.50000000  0.50000000  1
  O  O10  1  0.78031600  0.45252900  0.58263100  1
  O  O11  1  0.91736900  0.04747100  0.71968400  1
  O  O12  1  0.71968400  0.91736900  0.04747100  1
  O  O13  1  0.04747100  0.71968400  0.91736900  1
  O  O14  1  0.58263100  0.78031600  0.45252900  1
  O  O15  1  0.45252900  0.58263100  0.78031600  1
  O  O16  1  0.41736900  0.21968400  0.54747100  1
  O  O17  1  0.54747100  0.41736900  0.21968400  1
  O  O18  1  0.95252900  0.28031600  0.08263100  1
  O  O19  1  0.28031600  0.08263100  0.95252900  1
  O  O20  1  0.08263100  0.95252900  0.28031600  1
  O  O21  1  0.21968400  0.54747100  0.41736900  1
