# generated using pymatgen
data_ZrFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12800000
_cell_length_b   6.12800000
_cell_length_c   4.82700000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe6
_chemical_formula_sum   'Zr2 Fe12'
_cell_volume   181.26535757
_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
  Fe  Fe0  1  0.19073000  0.19073000  0.00000000  1
  Fe  Fe1  1  0.80927000  0.80927000  0.00000000  1
  Fe  Fe2  1  0.80927000  0.19073000  0.00000000  1
  Fe  Fe3  1  0.19073000  0.80927000  0.00000000  1
  Fe  Fe4  1  0.69073000  0.69073000  0.50000000  1
  Fe  Fe5  1  0.30927000  0.30927000  0.50000000  1
  Fe  Fe6  1  0.30927000  0.69073000  0.50000000  1
  Fe  Fe7  1  0.69073000  0.30927000  0.50000000  1
  Fe  Fe8  1  0.00000000  0.50000000  0.25000000  1
  Fe  Fe9  1  0.00000000  0.50000000  0.75000000  1
  Fe  Fe10  1  0.50000000  0.00000000  0.25000000  1
  Fe  Fe11  1  0.50000000  0.00000000  0.75000000  1
  Zr  Zr12  1  0.00000000  0.00000000  0.50000000  1
  Zr  Zr13  1  0.50000000  0.50000000  0.00000000  1
