# generated using pymatgen
data_Sm(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57721618
_cell_length_b   5.57721618
_cell_length_c   5.92468973
_cell_angle_alpha   108.94827508
_cell_angle_beta   108.94827508
_cell_angle_gamma   108.06587160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm(BRu)2
_chemical_formula_sum   'Sm2 B4 Ru4'
_cell_volume   145.99136451
_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
  Sm  Sm0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Sm  Sm1  1  0.25000000  0.75000000  0.49999900  1.0
  B  B2  1  0.68501354  0.31498646  -0.00000000  1.0
  B  B3  1  0.31498646  0.68501354  -0.00000000  1.0
  B  B4  1  0.93502801  0.06497199  0.49999900  1.0
  B  B5  1  0.56497299  0.43502801  0.49999900  1.0
  Ru  Ru6  1  0.61261666  0.11261666  0.22523132  1.0
  Ru  Ru7  1  0.63736026  0.63736026  0.27472152  1.0
  Ru  Ru8  1  0.36263974  0.36263974  0.72527948  1.0
  Ru  Ru9  1  0.88738334  0.38738334  0.77476668  1.0