# generated using pymatgen
data_Zr2CrFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25263645
_cell_length_b   4.92468178
_cell_length_c   8.66757999
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrFe3
_chemical_formula_sum   'Zr8 Cr4 Fe12'
_cell_volume   352.26439140
_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  0.50000000  0.16559200  0.18945100  1
  Zr  Zr1  1  0.00000000  0.33327600  0.31481600  1
  Zr  Zr2  1  0.00000000  0.33327600  0.68518400  1
  Zr  Zr3  1  0.50000000  0.16559200  0.81054900  1
  Zr  Zr4  1  0.00000000  0.66559200  0.18945100  1
  Zr  Zr5  1  0.50000000  0.83327600  0.31481600  1
  Zr  Zr6  1  0.50000000  0.83327600  0.68518400  1
  Zr  Zr7  1  0.00000000  0.66559200  0.81054900  1
  Cr  Cr8  1  0.24532800  0.41610400  0.00000000  1
  Cr  Cr9  1  0.75467200  0.41610400  0.00000000  1
  Cr  Cr10  1  0.74532800  0.91610400  0.00000000  1
  Cr  Cr11  1  0.25467200  0.91610400  0.00000000  1
  Fe  Fe12  1  0.00000000  0.16935100  0.00000000  1
  Fe  Fe13  1  0.25020100  0.08309800  0.50000000  1
  Fe  Fe14  1  0.74979900  0.08309800  0.50000000  1
  Fe  Fe15  1  0.50000000  0.33344500  0.50000000  1
  Fe  Fe16  1  0.00000000  0.00057900  0.24843800  1
  Fe  Fe17  1  0.00000000  0.00057900  0.75156200  1
  Fe  Fe18  1  0.50000000  0.66935100  0.00000000  1
  Fe  Fe19  1  0.75020100  0.58309800  0.50000000  1
  Fe  Fe20  1  0.24979900  0.58309800  0.50000000  1
  Fe  Fe21  1  0.00000000  0.83344500  0.50000000  1
  Fe  Fe22  1  0.50000000  0.50057900  0.24843800  1
  Fe  Fe23  1  0.50000000  0.50057900  0.75156200  1
