# generated using pymatgen
data_Zr3Sc(Fe3Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97656360
_cell_length_b   4.97656448
_cell_length_c   8.13591584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999411
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(Fe3Si)2
_chemical_formula_sum   'Zr3 Sc1 Fe6 Si2'
_cell_volume   174.50034872
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.33333300  0.66666700  0.43541458  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.56660281  1.0
  Zr  Zr2  1  0.33333300  0.66666700  0.06170451  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.93785520  1.0
  Fe  Fe4  1  0.16948666  0.83051334  0.75003279  1.0
  Fe  Fe5  1  0.66102768  0.83051334  0.75003279  1.0
  Fe  Fe6  1  0.83042830  0.16957170  0.24978147  1.0
  Fe  Fe7  1  0.16948666  0.33897232  0.75003279  1.0
  Fe  Fe8  1  0.83042830  0.66085861  0.24978147  1.0
  Fe  Fe9  1  0.33914139  0.16957170  0.24978147  1.0
  Si  Si10  1  0.00000000  0.00000000  0.50005911  1.0
  Si  Si11  1  0.00000000  0.00000000  0.99892301  1.0