# generated using pymatgen
data_Sm2B4IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77086208
_cell_length_b   5.96638134
_cell_length_c   5.54183007
_cell_angle_alpha   71.97275100
_cell_angle_beta   56.92186030
_cell_angle_gamma   51.54385982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2B4IrRu3
_chemical_formula_sum   'Sm2 B4 Ir1 Ru3'
_cell_volume   146.74718290
_cell_formula_units_Z   1
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  0.49886246  0.49886246  0.50113754  1.0
  Sm  Sm1  1  0.74960717  0.74960717  0.75039283  1.0
  B  B2  1  0.18124112  0.81707433  0.18167231  1.0
  B  B3  1  0.06726914  0.43592708  0.06246764  1.0
  B  B4  1  0.81707433  0.18124112  0.82001224  1.0
  B  B5  1  0.43592708  0.06726914  0.43433714  1.0
  Ir  Ir6  1  0.11450487  0.11450487  0.38549513  1.0
  Ru  Ru7  1  0.86386180  0.86386180  0.13613820  1.0
  Ru  Ru8  1  0.13603903  0.13603903  0.86396097  1.0
  Ru  Ru9  1  0.38561500  0.38561500  0.11438500  1.0