# generated using pymatgen
data_ZrSc3(Fe3Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99855249
_cell_length_b   4.99855307
_cell_length_c   8.08185088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc3(Fe3Si)2
_chemical_formula_sum   'Zr1 Sc3 Fe6 Si2'
_cell_volume   174.87594496
_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  0.06318633  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.93472501  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.44206019  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.56091313  1.0
  Fe  Fe4  1  0.17086336  0.82913664  0.75026338  1.0
  Fe  Fe5  1  0.65827427  0.82913664  0.75026338  1.0
  Fe  Fe6  1  0.82963086  0.17036914  0.24949039  1.0
  Fe  Fe7  1  0.17086336  0.34172573  0.75026338  1.0
  Fe  Fe8  1  0.82963086  0.65926171  0.24949039  1.0
  Fe  Fe9  1  0.34073829  0.17036914  0.24949039  1.0
  Si  Si10  1  0.00000000  0.00000000  0.50012787  1.0
  Si  Si11  1  0.00000000  0.00000000  0.99972316  1.0