# generated using pymatgen
data_Sc(Fe5Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72617633
_cell_length_b   8.19049102
_cell_length_c   8.26156802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(Fe5Si)2
_chemical_formula_sum   'Sc2 Fe20 Si4'
_cell_volume   319.80285916
_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  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe3  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe4  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe5  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe6  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe7  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe8  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe9  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe10  1  0.00000000  0.00000000  0.36017100  1
  Fe  Fe11  1  0.00000000  0.00000000  0.63982900  1
  Fe  Fe12  1  0.50000000  0.50000000  0.86017100  1
  Fe  Fe13  1  0.50000000  0.50000000  0.13982900  1
  Fe  Fe14  1  0.00000000  0.30123100  0.50000000  1
  Fe  Fe15  1  0.00000000  0.69876900  0.50000000  1
  Fe  Fe16  1  0.50000000  0.80123100  0.00000000  1
  Fe  Fe17  1  0.50000000  0.19876900  0.00000000  1
  Fe  Fe18  1  0.00000000  0.35016200  0.00000000  1
  Fe  Fe19  1  0.00000000  0.64983800  0.00000000  1
  Fe  Fe20  1  0.50000000  0.85016200  0.50000000  1
  Fe  Fe21  1  0.50000000  0.14983800  0.50000000  1
  Si  Si22  1  0.00000000  0.50000000  0.26718200  1
  Si  Si23  1  0.00000000  0.50000000  0.73281800  1
  Si  Si24  1  0.50000000  0.00000000  0.76718200  1
  Si  Si25  1  0.50000000  0.00000000  0.23281800  1
