# generated using pymatgen
data_Zr(FeSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85350773
_cell_length_b   3.85350773
_cell_length_c   9.34130489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(FeSi)2
_chemical_formula_sum   'Zr2 Fe4 Si4'
_cell_volume   138.71391084
_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
  Zr  Zr0  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.25000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.25000000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.75000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.75000000  1
  Si  Si6  1  0.00000000  0.00000000  0.37167400  1
  Si  Si7  1  0.50000000  0.50000000  0.12832600  1
  Si  Si8  1  0.50000000  0.50000000  0.87167400  1
  Si  Si9  1  0.00000000  0.00000000  0.62832600  1
