# generated using pymatgen
data_SmHfB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57460287
_cell_length_b   9.04626311
_cell_length_c   11.42961087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmHfB6Ru
_chemical_formula_sum   'Sm4 Hf4 B24 Ru4'
_cell_volume   369.59701894
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.00000000  0.32223687  0.41440358  1.0
  Sm  Sm1  1  0.00000000  0.67776313  0.58559642  1.0
  Sm  Sm2  1  0.00000000  0.82223687  0.08559642  1.0
  Sm  Sm3  1  0.00000000  0.17776313  0.91440358  1.0
  Hf  Hf4  1  0.00000000  0.94531042  0.37441912  1.0
  Hf  Hf5  1  0.00000000  0.05468958  0.62558088  1.0
  Hf  Hf6  1  0.00000000  0.44531042  0.12558088  1.0
  Hf  Hf7  1  0.00000000  0.55468958  0.87441912  1.0
  B  B8  1  0.50000000  0.55608945  0.43136528  1.0
  B  B9  1  0.50000000  0.44391055  0.56863472  1.0
  B  B10  1  0.50000000  0.05608945  0.06863472  1.0
  B  B11  1  0.50000000  0.94391055  0.93136528  1.0
  B  B12  1  0.50000000  0.75381412  0.41670237  1.0
  B  B13  1  0.50000000  0.24618588  0.58329763  1.0
  B  B14  1  0.50000000  0.25381412  0.08329763  1.0
  B  B15  1  0.50000000  0.74618588  0.91670237  1.0
  B  B16  1  0.50000000  0.79572175  0.26449330  1.0
  B  B17  1  0.50000000  0.20427825  0.73550670  1.0
  B  B18  1  0.50000000  0.29572175  0.23550670  1.0
  B  B19  1  0.50000000  0.70427825  0.76449330  1.0
  B  B20  1  0.50000000  0.62961355  0.18276386  1.0
  B  B21  1  0.50000000  0.37038645  0.81723614  1.0
  B  B22  1  0.50000000  0.12961355  0.31723614  1.0
  B  B23  1  0.50000000  0.87038645  0.68276386  1.0
  B  B24  1  0.50000000  0.98365695  0.21429168  1.0
  B  B25  1  0.50000000  0.01634305  0.78570832  1.0
  B  B26  1  0.50000000  0.48365695  0.28570832  1.0
  B  B27  1  0.50000000  0.51634305  0.71429168  1.0
  B  B28  1  0.50000000  0.59952190  0.02643667  1.0
  B  B29  1  0.50000000  0.40047810  0.97356333  1.0
  B  B30  1  0.50000000  0.09952190  0.47356333  1.0
  B  B31  1  0.50000000  0.90047810  0.52643667  1.0
  Ru  Ru32  1  0.00000000  0.64349100  0.31676785  1.0
  Ru  Ru33  1  0.00000000  0.35650900  0.68323215  1.0
  Ru  Ru34  1  0.00000000  0.14349100  0.18323215  1.0
  Ru  Ru35  1  0.00000000  0.85650900  0.81676785  1.0