# generated using pymatgen
data_Sc2FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97881225
_cell_length_b   5.30975807
_cell_length_c   8.48427525
_cell_angle_alpha   82.41323319
_cell_angle_beta   76.43892817
_cell_angle_gamma   67.99609084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeSi2
_chemical_formula_sum   'Sc4 Fe2 Si4'
_cell_volume   161.35955976
_cell_formula_units_Z   2
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  0.81484330  0.26278930  0.10752311  1.0
  Sc  Sc1  1  -0.00050160  0.67183956  0.32916463  1.0
  Sc  Sc2  1  0.18515670  0.73721070  0.89247689  1.0
  Sc  Sc3  1  0.00050160  0.32816044  0.67083537  1.0
  Fe  Fe4  1  0.73011309  0.91443912  0.62533471  1.0
  Fe  Fe5  1  0.26988691  0.08556088  0.37466529  1.0
  Si  Si6  1  0.49424766  0.13806156  0.87344312  1.0
  Si  Si7  1  0.35220761  0.73028721  0.56529657  1.0
  Si  Si8  1  0.50575234  0.86193844  0.12655688  1.0
  Si  Si9  1  0.64779239  0.26971279  0.43470343  1.0