# generated using pymatgen
data_SmZrB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59755142
_cell_length_b   9.08423113
_cell_length_c   11.46766215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmZrB6Ru
_chemical_formula_sum   'Sm4 Zr4 B24 Ru4'
_cell_volume   374.77453631
_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  0.32258741  0.41421018  1.0
  Sm  Sm1  1  0.00000000  0.67741259  0.58578982  1.0
  Sm  Sm2  1  0.00000000  0.82258741  0.08578982  1.0
  Sm  Sm3  1  0.00000000  0.17741259  0.91421018  1.0
  Zr  Zr4  1  0.00000000  0.94515964  0.37410990  1.0
  Zr  Zr5  1  0.00000000  0.05484036  0.62589010  1.0
  Zr  Zr6  1  0.00000000  0.44515964  0.12589010  1.0
  Zr  Zr7  1  0.00000000  0.55484036  0.87410990  1.0
  B  B8  1  0.50000000  0.55591989  0.43136131  1.0
  B  B9  1  0.50000000  0.44408011  0.56863869  1.0
  B  B10  1  0.50000000  0.05591989  0.06863869  1.0
  B  B11  1  0.50000000  0.94408011  0.93136131  1.0
  B  B12  1  0.50000000  0.75274863  0.41673924  1.0
  B  B13  1  0.50000000  0.24725137  0.58326076  1.0
  B  B14  1  0.50000000  0.25274863  0.08326076  1.0
  B  B15  1  0.50000000  0.74725137  0.91673924  1.0
  B  B16  1  0.50000000  0.79498974  0.26443547  1.0
  B  B17  1  0.50000000  0.20501026  0.73556453  1.0
  B  B18  1  0.50000000  0.29498974  0.23556453  1.0
  B  B19  1  0.50000000  0.70501026  0.76443547  1.0
  B  B20  1  0.50000000  0.63021158  0.18334459  1.0
  B  B21  1  0.50000000  0.36978842  0.81665541  1.0
  B  B22  1  0.50000000  0.13021158  0.31665541  1.0
  B  B23  1  0.50000000  0.86978842  0.68334459  1.0
  B  B24  1  0.50000000  0.98413272  0.21367365  1.0
  B  B25  1  0.50000000  0.01586728  0.78632635  1.0
  B  B26  1  0.50000000  0.48413272  0.28632635  1.0
  B  B27  1  0.50000000  0.51586728  0.71367365  1.0
  B  B28  1  0.50000000  0.60056155  0.02679177  1.0
  B  B29  1  0.50000000  0.39943845  0.97320823  1.0
  B  B30  1  0.50000000  0.10056155  0.47320823  1.0
  B  B31  1  0.50000000  0.89943845  0.52679177  1.0
  Ru  Ru32  1  0.00000000  0.64313195  0.31745481  1.0
  Ru  Ru33  1  0.00000000  0.35686805  0.68254519  1.0
  Ru  Ru34  1  0.00000000  0.14313195  0.18254519  1.0
  Ru  Ru35  1  0.00000000  0.85686805  0.81745481  1.0