# generated using pymatgen
data_Sc3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93839372
_cell_length_b   5.31864334
_cell_length_c   12.84780074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.73067864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Fe2Si3
_chemical_formula_sum   'Sc6 Fe4 Si6'
_cell_volume   249.99646333
_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  0.36294739  0.72589479  0.75000000  1.0
  Sc  Sc1  1  0.08240219  0.16480438  0.61204596  1.0
  Sc  Sc2  1  0.08240219  0.16480438  0.88795404  1.0
  Sc  Sc3  1  0.91759781  0.83519562  0.11204596  1.0
  Sc  Sc4  1  0.63705261  0.27410521  0.25000000  1.0
  Sc  Sc5  1  0.91759781  0.83519562  0.38795404  1.0
  Fe  Fe6  1  0.21395772  0.42791545  0.08157245  1.0
  Fe  Fe7  1  0.78604228  0.57208455  0.58157245  1.0
  Fe  Fe8  1  0.21395772  0.42791545  0.41842755  1.0
  Fe  Fe9  1  0.78604228  0.57208455  0.91842755  1.0
  Si  Si10  1  0.32685372  0.65370743  0.25000000  1.0
  Si  Si11  1  0.61809618  0.23619237  0.45956628  1.0
  Si  Si12  1  0.61809618  0.23619237  0.04043372  1.0
  Si  Si13  1  0.38190382  0.76380763  0.54043372  1.0
  Si  Si14  1  0.67314628  0.34629257  0.75000000  1.0
  Si  Si15  1  0.38190382  0.76380763  0.95956628  1.0