# generated using pymatgen
data_Sc8Mn3FeB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34272147
_cell_length_b   8.82468461
_cell_length_c   11.13364902
_cell_angle_alpha   90.06312094
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Mn3FeB24
_chemical_formula_sum   'Sc8 Mn3 Fe1 B24'
_cell_volume   328.42533085
_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  0.82092037  0.08212395  1.0
  Sc  Sc1  1  0.00000000  0.17633261  0.91389006  1.0
  Sc  Sc2  1  0.00000000  0.32020380  0.41596345  1.0
  Sc  Sc3  1  0.00000000  0.68035271  0.58769035  1.0
  Sc  Sc4  1  0.00000000  0.44321645  0.12812842  1.0
  Sc  Sc5  1  0.00000000  0.55803603  0.86949532  1.0
  Sc  Sc6  1  0.00000000  0.94371156  0.37155462  1.0
  Sc  Sc7  1  0.00000000  0.05711744  0.63096572  1.0
  Mn  Mn8  1  0.00000000  0.13927884  0.18036284  1.0
  Mn  Mn9  1  0.00000000  0.86045863  0.81912585  1.0
  Mn  Mn10  1  0.00000000  0.63915401  0.32010342  1.0
  Fe  Fe11  1  0.00000000  0.36041175  0.68048148  1.0
  B  B12  1  0.50000000  0.05251960  0.06541296  1.0
  B  B13  1  0.50000000  0.94623940  0.93316464  1.0
  B  B14  1  0.50000000  0.55297005  0.43507209  1.0
  B  B15  1  0.50000000  0.44598528  0.56695079  1.0
  B  B16  1  0.50000000  0.25035481  0.07914321  1.0
  B  B17  1  0.50000000  0.75056541  0.91874167  1.0
  B  B18  1  0.50000000  0.75093511  0.42099931  1.0
  B  B19  1  0.50000000  0.25105932  0.58125132  1.0
  B  B20  1  0.50000000  0.29365250  0.23611719  1.0
  B  B21  1  0.50000000  0.70731378  0.76389218  1.0
  B  B22  1  0.50000000  0.79347992  0.26388031  1.0
  B  B23  1  0.50000000  0.20795008  0.73573958  1.0
  B  B24  1  0.50000000  0.13093175  0.31722669  1.0
  B  B25  1  0.50000000  0.86969144  0.68450238  1.0
  B  B26  1  0.50000000  0.63043357  0.18291384  1.0
  B  B27  1  0.50000000  0.36937829  0.81532982  1.0
  B  B28  1  0.50000000  0.47997810  0.28822828  1.0
  B  B29  1  0.50000000  0.51778112  0.71143931  1.0
  B  B30  1  0.50000000  0.98009376  0.21199898  1.0
  B  B31  1  0.50000000  0.01861229  0.78840369  1.0
  B  B32  1  0.50000000  0.10239757  0.47296652  1.0
  B  B33  1  0.50000000  0.89895518  0.52842671  1.0
  B  B34  1  0.50000000  0.60155654  0.02711375  1.0
  B  B35  1  0.50000000  0.39797295  0.97119929  1.0