# generated using pymatgen
data_LiSm2RuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78652200
_cell_length_b   5.40296400
_cell_length_c   9.37644405
_cell_angle_alpha   55.33293889
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSm2RuO6
_chemical_formula_sum   'Li2 Sm4 Ru2 O12'
_cell_volume   241.10628850
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Sm  Sm2  1  0.07469400  0.73079000  0.75147600  1
  Sm  Sm3  1  0.92530600  0.26921000  0.24852400  1
  Sm  Sm4  1  0.57469400  0.26921000  0.74852400  1
  Sm  Sm5  1  0.42530600  0.73079000  0.25147600  1
  Ru  Ru6  1  0.50000000  0.00000000  0.50000000  1
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1
  O  O8  1  0.79107900  0.76476900  0.55680400  1
  O  O9  1  0.20892100  0.23523100  0.44319600  1
  O  O10  1  0.29107900  0.23523100  0.94319600  1
  O  O11  1  0.70892100  0.76476900  0.05680400  1
  O  O12  1  0.46485800  0.86168700  0.74427000  1
  O  O13  1  0.53514200  0.13831300  0.25573000  1
  O  O14  1  0.96485800  0.13831300  0.75573000  1
  O  O15  1  0.03514200  0.86168700  0.24427000  1
  O  O16  1  0.31731700  0.64932200  0.55136600  1
  O  O17  1  0.68268300  0.35067800  0.44863400  1
  O  O18  1  0.81731700  0.35067800  0.94863400  1
  O  O19  1  0.18268300  0.64932200  0.05136600  1
