# generated using pymatgen
data_Zr3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29707058
_cell_length_b   10.90729378
_cell_length_c   8.93829330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Fe
_chemical_formula_sum   'Zr12 Fe4'
_cell_volume   321.43995327
_cell_formula_units_Z   4
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  0.42104900  0.75000000  1
  Zr  Zr1  1  0.50000000  0.07895100  0.25000000  1
  Zr  Zr2  1  0.00000000  0.13781600  0.94022900  1
  Zr  Zr3  1  0.50000000  0.36218400  0.05977100  1
  Zr  Zr4  1  0.50000000  0.36218400  0.44022900  1
  Zr  Zr5  1  0.00000000  0.13781600  0.55977100  1
  Zr  Zr6  1  0.50000000  0.92104900  0.75000000  1
  Zr  Zr7  1  0.00000000  0.57895100  0.25000000  1
  Zr  Zr8  1  0.50000000  0.63781600  0.94022900  1
  Zr  Zr9  1  0.00000000  0.86218400  0.05977100  1
  Zr  Zr10  1  0.00000000  0.86218400  0.44022900  1
  Zr  Zr11  1  0.50000000  0.63781600  0.55977100  1
  Fe  Fe12  1  0.50000000  0.23225000  0.75000000  1
  Fe  Fe13  1  0.00000000  0.26775000  0.25000000  1
  Fe  Fe14  1  0.00000000  0.73225000  0.75000000  1
  Fe  Fe15  1  0.50000000  0.76775000  0.25000000  1
