# generated using pymatgen
data_Sc2Fe3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09262787
_cell_length_b   10.09262659
_cell_length_c   5.25091534
_cell_angle_alpha   90.00000418
_cell_angle_beta   90.00000063
_cell_angle_gamma   89.99916667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Fe3Si5
_chemical_formula_sum   'Sc8 Fe12 Si20'
_cell_volume   534.86414065
_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
  Sc  Sc0  1  0.43119738  0.26337628  0.49999998  1.0
  Sc  Sc1  1  0.06886621  0.76339701  -0.00000044  1.0
  Sc  Sc2  1  0.93113284  0.23660267  -0.00000009  1.0
  Sc  Sc3  1  0.76335542  0.93118719  0.00000021  1.0
  Sc  Sc4  1  0.26341764  0.56885487  0.50000033  1.0
  Sc  Sc5  1  0.73658231  0.43114531  0.49999985  1.0
  Sc  Sc6  1  0.56880368  0.73662384  0.49999982  1.0
  Sc  Sc7  1  0.23664454  0.06881289  -0.00000027  1.0
  Fe  Fe8  1  0.37672033  0.64359032  0.00000043  1.0
  Fe  Fe9  1  0.62327950  0.35640943  -0.00000035  1.0
  Fe  Fe10  1  0.64357082  0.62329896  -0.00000009  1.0
  Fe  Fe11  1  0.35642907  0.37670070  -0.00000030  1.0
  Fe  Fe12  1  0.14359013  0.87671110  0.49999996  1.0
  Fe  Fe13  1  0.85641076  0.12328950  0.50000056  1.0
  Fe  Fe14  1  0.87669216  0.85642949  0.49999999  1.0
  Fe  Fe15  1  0.12330715  0.14357046  0.49999998  1.0
  Fe  Fe16  1  0.50000037  0.00000014  0.24998999  1.0
  Fe  Fe17  1  -0.00000032  0.50000006  0.24999071  1.0
  Fe  Fe18  1  0.50000011  0.00000036  0.75000994  1.0
  Fe  Fe19  1  -0.00000016  0.50000024  0.75000907  1.0
  Si  Si20  1  0.31886540  0.02674396  0.49999977  1.0
  Si  Si21  1  0.68113457  0.97325639  0.50000027  1.0
  Si  Si22  1  0.97325119  0.31884455  0.50000022  1.0
  Si  Si23  1  0.02674809  0.68115557  0.49999980  1.0
  Si  Si24  1  0.52673781  0.81885305  -0.00000018  1.0
  Si  Si25  1  0.81883313  0.47325526  0.99999955  1.0
  Si  Si26  1  0.18116696  0.52674464  -0.00000005  1.0
  Si  Si27  1  0.47326266  0.18114695  0.00000002  1.0
  Si  Si28  1  0.50000015  0.49999986  0.75040117  1.0
  Si  Si29  1  0.99999977  -0.00000003  0.74957200  1.0
  Si  Si30  1  0.50000009  0.49999988  0.24959884  1.0
  Si  Si31  1  0.99999975  -0.00000000  0.25042772  1.0
  Si  Si32  1  0.67753458  0.17755039  0.75000636  1.0
  Si  Si33  1  0.67753459  0.17755032  0.24999365  1.0
  Si  Si34  1  0.82242820  0.67755742  0.74999907  1.0
  Si  Si35  1  0.32246606  0.82244933  0.75000358  1.0
  Si  Si36  1  0.32246613  0.82244923  0.24999621  1.0
  Si  Si37  1  0.82242817  0.67755745  0.25000087  1.0
  Si  Si38  1  0.17757138  0.32244248  0.24999968  1.0
  Si  Si39  1  0.17757136  0.32244250  0.75000017  1.0