# generated using pymatgen
data_Zr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59643290
_cell_length_b   8.59643290
_cell_length_c   8.59643290
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Fe
_chemical_formula_sum   'Zr16 Fe8'
_cell_volume   449.20009095
_cell_formula_units_Z   8
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  0.12500000  0.62500000  0.62500000  1.0
  Zr  Zr1  1  0.62500000  0.12500000  0.62500000  1.0
  Zr  Zr2  1  0.62500000  0.62500000  0.12500000  1.0
  Zr  Zr3  1  0.62500000  0.62500000  0.62500000  1.0
  Zr  Zr4  1  0.81180400  0.81180400  0.18819600  1.0
  Zr  Zr5  1  0.18819600  0.18819600  0.81180400  1.0
  Zr  Zr6  1  0.81180400  0.18819600  0.81180400  1.0
  Zr  Zr7  1  0.18819600  0.81180400  0.18819600  1.0
  Zr  Zr8  1  0.18819600  0.81180400  0.81180400  1.0
  Zr  Zr9  1  0.81180400  0.18819600  0.18819600  1.0
  Zr  Zr10  1  0.43819600  0.43819600  0.06180400  1.0
  Zr  Zr11  1  0.06180400  0.06180400  0.43819600  1.0
  Zr  Zr12  1  0.43819600  0.06180400  0.43819600  1.0
  Zr  Zr13  1  0.06180400  0.43819600  0.06180400  1.0
  Zr  Zr14  1  0.06180400  0.43819600  0.43819600  1.0
  Zr  Zr15  1  0.43819600  0.06180400  0.06180400  1.0
  Fe  Fe16  1  0.78133100  0.40622300  0.40622300  1.0
  Fe  Fe17  1  0.40622300  0.78133100  0.40622300  1.0
  Fe  Fe18  1  0.40622300  0.40622300  0.78133100  1.0
  Fe  Fe19  1  0.40622300  0.40622300  0.40622300  1.0
  Fe  Fe20  1  0.46866900  0.84377700  0.84377700  1.0
  Fe  Fe21  1  0.84377700  0.46866900  0.84377700  1.0
  Fe  Fe22  1  0.84377700  0.84377700  0.46866900  1.0
  Fe  Fe23  1  0.84377700  0.84377700  0.84377700  1.0