# generated using pymatgen
data_SmNbB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52635256
_cell_length_b   9.02753499
_cell_length_c   11.37826749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNbB6Ru
_chemical_formula_sum   'Sm4 Nb4 B24 Ru4'
_cell_volume   362.21885260
_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  0.32294089  0.41352803  1.0
  Sm  Sm1  1  0.00000000  0.67705911  0.58647197  1.0
  Sm  Sm2  1  0.00000000  0.82294089  0.08647197  1.0
  Sm  Sm3  1  0.00000000  0.17705911  0.91352803  1.0
  Nb  Nb4  1  0.00000000  0.94683992  0.37528248  1.0
  Nb  Nb5  1  0.00000000  0.05316008  0.62471752  1.0
  Nb  Nb6  1  0.00000000  0.44683992  0.12471752  1.0
  Nb  Nb7  1  0.00000000  0.55316008  0.87528248  1.0
  B  B8  1  0.50000000  0.55602631  0.43241485  1.0
  B  B9  1  0.50000000  0.44397369  0.56758515  1.0
  B  B10  1  0.50000000  0.05602631  0.06758515  1.0
  B  B11  1  0.50000000  0.94397369  0.93241485  1.0
  B  B12  1  0.50000000  0.75485070  0.41706497  1.0
  B  B13  1  0.50000000  0.24514930  0.58293503  1.0
  B  B14  1  0.50000000  0.25485070  0.08293503  1.0
  B  B15  1  0.50000000  0.74514930  0.91706497  1.0
  B  B16  1  0.50000000  0.79834390  0.26390287  1.0
  B  B17  1  0.50000000  0.20165610  0.73609713  1.0
  B  B18  1  0.50000000  0.29834390  0.23609713  1.0
  B  B19  1  0.50000000  0.70165610  0.76390287  1.0
  B  B20  1  0.50000000  0.62885114  0.18191460  1.0
  B  B21  1  0.50000000  0.37114886  0.81808540  1.0
  B  B22  1  0.50000000  0.12885114  0.31808540  1.0
  B  B23  1  0.50000000  0.87114886  0.68191460  1.0
  B  B24  1  0.50000000  0.98234765  0.21489425  1.0
  B  B25  1  0.50000000  0.01765235  0.78510575  1.0
  B  B26  1  0.50000000  0.48234765  0.28510575  1.0
  B  B27  1  0.50000000  0.51765235  0.71489425  1.0
  B  B28  1  0.50000000  0.59864658  0.02631503  1.0
  B  B29  1  0.50000000  0.40135342  0.97368497  1.0
  B  B30  1  0.50000000  0.09864658  0.47368497  1.0
  B  B31  1  0.50000000  0.90135342  0.52631503  1.0
  Ru  Ru32  1  0.00000000  0.64441317  0.31759525  1.0
  Ru  Ru33  1  0.00000000  0.35558683  0.68240475  1.0
  Ru  Ru34  1  0.00000000  0.14441317  0.18240475  1.0
  Ru  Ru35  1  0.00000000  0.85558683  0.81759525  1.0