# generated using pymatgen
data_SmScFeB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47900746
_cell_length_b   8.97437378
_cell_length_c   11.37074850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmScFeB6
_chemical_formula_sum   'Sm4 Sc4 Fe4 B24'
_cell_volume   355.01652463
_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  0.82271205  0.08506361  1.0
  Sm  Sm1  1  0.00000000  0.17728795  0.91493639  1.0
  Sm  Sm2  1  0.00000000  0.32271205  0.41493639  1.0
  Sm  Sm3  1  0.00000000  0.67728795  0.58506361  1.0
  Sc  Sc4  1  0.00000000  0.44466879  0.12856590  1.0
  Sc  Sc5  1  0.00000000  0.55533121  0.87143410  1.0
  Sc  Sc6  1  0.00000000  0.94466879  0.37143410  1.0
  Sc  Sc7  1  0.00000000  0.05533121  0.62856590  1.0
  Fe  Fe8  1  0.00000000  0.14176414  0.18283090  1.0
  Fe  Fe9  1  0.00000000  0.85823586  0.81716910  1.0
  Fe  Fe10  1  0.00000000  0.64176414  0.31716910  1.0
  Fe  Fe11  1  0.00000000  0.35823586  0.68283090  1.0
  B  B12  1  0.50000000  0.05793216  0.07158197  1.0
  B  B13  1  0.50000000  0.94206784  0.92841803  1.0
  B  B14  1  0.50000000  0.55793216  0.42841803  1.0
  B  B15  1  0.50000000  0.44206784  0.57158197  1.0
  B  B16  1  0.50000000  0.25206368  0.08472582  1.0
  B  B17  1  0.50000000  0.74793632  0.91527418  1.0
  B  B18  1  0.50000000  0.75206368  0.41527418  1.0
  B  B19  1  0.50000000  0.24793632  0.58472582  1.0
  B  B20  1  0.50000000  0.29197146  0.23401963  1.0
  B  B21  1  0.50000000  0.70802854  0.76598037  1.0
  B  B22  1  0.50000000  0.79197146  0.26598037  1.0
  B  B23  1  0.50000000  0.20802854  0.73401963  1.0
  B  B24  1  0.50000000  0.12953581  0.31578149  1.0
  B  B25  1  0.50000000  0.87046419  0.68421851  1.0
  B  B26  1  0.50000000  0.62953581  0.18421851  1.0
  B  B27  1  0.50000000  0.37046419  0.81578149  1.0
  B  B28  1  0.50000000  0.48625934  0.28511463  1.0
  B  B29  1  0.50000000  0.51374066  0.71488537  1.0
  B  B30  1  0.50000000  0.98625934  0.21488537  1.0
  B  B31  1  0.50000000  0.01374066  0.78511463  1.0
  B  B32  1  0.50000000  0.09835542  0.47383441  1.0
  B  B33  1  0.50000000  0.90164458  0.52616559  1.0
  B  B34  1  0.50000000  0.59835542  0.02616559  1.0
  B  B35  1  0.50000000  0.40164458  0.97383441  1.0