# generated using pymatgen
data_ZrCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29081777
_cell_length_b   4.99343413
_cell_length_c   8.57977198
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrFe
_chemical_formula_sum   'Zr8 Cr8 Fe8'
_cell_volume   355.19957780
_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  0.50000000  0.16728600  0.18635800  1
  Zr  Zr1  1  0.50000000  0.83406500  0.31083800  1
  Zr  Zr2  1  0.50000000  0.83406500  0.68916200  1
  Zr  Zr3  1  0.50000000  0.16728600  0.81364200  1
  Zr  Zr4  1  0.00000000  0.66728600  0.18635800  1
  Zr  Zr5  1  0.00000000  0.33406500  0.31083800  1
  Zr  Zr6  1  0.00000000  0.33406500  0.68916200  1
  Zr  Zr7  1  0.00000000  0.66728600  0.81364200  1
  Cr  Cr8  1  0.50000000  0.66628200  0.00000000  1
  Cr  Cr9  1  0.25312600  0.08456200  0.50000000  1
  Cr  Cr10  1  0.74687400  0.08456200  0.50000000  1
  Cr  Cr11  1  0.50000000  0.33067600  0.50000000  1
  Cr  Cr12  1  0.00000000  0.16628200  0.00000000  1
  Cr  Cr13  1  0.75312600  0.58456200  0.50000000  1
  Cr  Cr14  1  0.24687400  0.58456200  0.50000000  1
  Cr  Cr15  1  0.00000000  0.83067600  0.50000000  1
  Fe  Fe16  1  0.50000000  0.50128500  0.24778600  1
  Fe  Fe17  1  0.50000000  0.50128500  0.75221400  1
  Fe  Fe18  1  0.74833400  0.91430700  0.00000000  1
  Fe  Fe19  1  0.25166600  0.91430700  0.00000000  1
  Fe  Fe20  1  0.00000000  0.00128500  0.24778600  1
  Fe  Fe21  1  0.00000000  0.00128500  0.75221400  1
  Fe  Fe22  1  0.24833400  0.41430700  0.00000000  1
  Fe  Fe23  1  0.75166600  0.41430700  0.00000000  1
