# generated using pymatgen
data_Sc2FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88905603
_cell_length_b   3.98520463
_cell_length_c   9.41512384
_cell_angle_alpha   90.00000000
_cell_angle_beta   118.56620253
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2FeSi2
_chemical_formula_sum   'Sc8 Fe4 Si8'
_cell_volume   325.87959764
_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  0.81490600  0.00000000  0.89201900  1
  Sc  Sc1  1  0.50074400  0.50000000  0.67216400  1
  Sc  Sc2  1  0.18509400  0.00000000  0.10798100  1
  Sc  Sc3  1  0.49925600  0.50000000  0.32783600  1
  Sc  Sc4  1  0.31490600  0.50000000  0.89201900  1
  Sc  Sc5  1  0.00074400  0.00000000  0.67216400  1
  Sc  Sc6  1  0.68509400  0.50000000  0.10798100  1
  Sc  Sc7  1  0.99925600  0.00000000  0.32783600  1
  Fe  Fe8  1  0.22932700  0.50000000  0.37335700  1
  Fe  Fe9  1  0.77067300  0.50000000  0.62664300  1
  Fe  Fe10  1  0.72932700  0.00000000  0.37335700  1
  Fe  Fe11  1  0.27067300  0.00000000  0.62664300  1
  Si  Si12  1  0.49314000  0.00000000  0.12604700  1
  Si  Si13  1  0.35351000  0.00000000  0.43485100  1
  Si  Si14  1  0.50686000  0.00000000  0.87395300  1
  Si  Si15  1  0.64649000  0.00000000  0.56514900  1
  Si  Si16  1  0.99314000  0.50000000  0.12604700  1
  Si  Si17  1  0.85351000  0.50000000  0.43485100  1
  Si  Si18  1  0.00686000  0.50000000  0.87395300  1
  Si  Si19  1  0.14649000  0.50000000  0.56514900  1
