# generated using pymatgen
data_Sc8Mn(FeB8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34372508
_cell_length_b   8.78839040
_cell_length_c   11.09694460
_cell_angle_alpha   89.93042444
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Mn(FeB8)3
_chemical_formula_sum   'Sc8 Mn1 Fe3 B24'
_cell_volume   326.09414566
_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
  Sc  Sc0  1  0.00000000  0.82156910  0.08414266  1.0
  Sc  Sc1  1  0.00000000  0.18105512  0.91252684  1.0
  Sc  Sc2  1  0.00000000  0.32136505  0.41774931  1.0
  Sc  Sc3  1  0.00000000  0.67629259  0.58595894  1.0
  Sc  Sc4  1  0.00000000  0.44284347  0.13001971  1.0
  Sc  Sc5  1  0.00000000  0.55642084  0.87008774  1.0
  Sc  Sc6  1  0.00000000  0.94228662  0.37039967  1.0
  Sc  Sc7  1  0.00000000  0.05758207  0.62929626  1.0
  Mn  Mn8  1  0.00000000  0.36094623  0.68033533  1.0
  Fe  Fe9  1  0.00000000  0.13917763  0.18029179  1.0
  Fe  Fe10  1  0.00000000  0.86066741  0.82000511  1.0
  Fe  Fe11  1  0.00000000  0.63969271  0.31908153  1.0
  B  B12  1  0.50000000  0.05409977  0.06602379  1.0
  B  B13  1  0.50000000  0.94628165  0.93359072  1.0
  B  B14  1  0.50000000  0.55372758  0.43331342  1.0
  B  B15  1  0.50000000  0.44675647  0.56621137  1.0
  B  B16  1  0.50000000  0.24929229  0.08072280  1.0
  B  B17  1  0.50000000  0.75092633  0.91945146  1.0
  B  B18  1  0.50000000  0.74882777  0.41917476  1.0
  B  B19  1  0.50000000  0.25063549  0.58078195  1.0
  B  B20  1  0.50000000  0.29200227  0.23592806  1.0
  B  B21  1  0.50000000  0.70787420  0.76481747  1.0
  B  B22  1  0.50000000  0.79235911  0.26417696  1.0
  B  B23  1  0.50000000  0.20719245  0.73573464  1.0
  B  B24  1  0.50000000  0.13046820  0.31594244  1.0
  B  B25  1  0.50000000  0.86925595  0.68439354  1.0
  B  B26  1  0.50000000  0.63080406  0.18409961  1.0
  B  B27  1  0.50000000  0.36947252  0.81569610  1.0
  B  B28  1  0.50000000  0.48223916  0.28832790  1.0
  B  B29  1  0.50000000  0.51870080  0.71170446  1.0
  B  B30  1  0.50000000  0.98228030  0.21133507  1.0
  B  B31  1  0.50000000  0.01775612  0.78831347  1.0
  B  B32  1  0.50000000  0.10199356  0.47165461  1.0
  B  B33  1  0.50000000  0.89659546  0.52800050  1.0
  B  B34  1  0.50000000  0.60289865  0.02822037  1.0
  B  B35  1  0.50000000  0.39766500  0.97248864  1.0