# generated using pymatgen
data_Zr2Fe3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99218524
_cell_length_b   4.99218524
_cell_length_c   8.06724850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Fe3Si
_chemical_formula_sum   'Zr4 Fe6 Si2'
_cell_volume   174.11550647
_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  0.66666700  0.33333300  0.93616400  1
  Zr  Zr1  1  0.33333300  0.66666700  0.43616400  1
  Zr  Zr2  1  0.66666700  0.33333300  0.56383600  1
  Zr  Zr3  1  0.33333300  0.66666700  0.06383600  1
  Fe  Fe4  1  0.16965300  0.83034700  0.75000000  1
  Fe  Fe5  1  0.66069500  0.83034700  0.75000000  1
  Fe  Fe6  1  0.83034700  0.16965300  0.25000000  1
  Fe  Fe7  1  0.16965300  0.33930500  0.75000000  1
  Fe  Fe8  1  0.83034700  0.66069500  0.25000000  1
  Fe  Fe9  1  0.33930500  0.16965300  0.25000000  1
  Si  Si10  1  0.00000000  0.00000000  0.50000000  1
  Si  Si11  1  0.00000000  0.00000000  0.00000000  1
