# generated using pymatgen
data_ZrCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03423628
_cell_length_b   5.03466460
_cell_length_c   8.09480400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.39026911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrFe
_chemical_formula_sum   'Zr4 Cr4 Fe4'
_cell_volume   176.57932639
_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  0.33353200  0.33354800  0.56084800  1.0
  Zr  Zr1  1  0.66586600  0.66590200  0.43656000  1.0
  Zr  Zr2  1  0.66586600  0.66590200  0.06344000  1.0
  Zr  Zr3  1  0.33353200  0.33354800  0.93915200  1.0
  Cr  Cr4  1  0.00024600  0.00019500  0.50340200  1.0
  Cr  Cr5  1  0.00024600  0.00019500  0.99659800  1.0
  Cr  Cr6  1  0.83135300  0.33898500  0.75000000  1.0
  Cr  Cr7  1  0.33900700  0.83135000  0.75000000  1.0
  Fe  Fe8  1  0.82892200  0.82894000  0.75000000  1.0
  Fe  Fe9  1  0.16730400  0.66512800  0.25000000  1.0
  Fe  Fe10  1  0.66512300  0.16730300  0.25000000  1.0
  Fe  Fe11  1  0.16900200  0.16900500  0.25000000  1.0