# generated using pymatgen
data_ZrCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96353883
_cell_length_b   4.96353883
_cell_length_c   8.29081800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.60112284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrFe
_chemical_formula_sum   'Zr4 Cr4 Fe4'
_cell_volume   177.59978962
_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  0.33271400  0.66728600  0.18635800  1.0
  Zr  Zr1  1  0.66593500  0.33406500  0.31083800  1.0
  Zr  Zr2  1  0.66593500  0.33406500  0.68916200  1.0
  Zr  Zr3  1  0.33271400  0.66728600  0.81364200  1.0
  Cr  Cr4  1  0.83371800  0.16628200  0.00000000  1.0
  Cr  Cr5  1  0.16856500  0.33768800  0.50000000  1.0
  Cr  Cr6  1  0.66231200  0.83143500  0.50000000  1.0
  Cr  Cr7  1  0.16932400  0.83067600  0.50000000  1.0
  Fe  Fe8  1  0.99871500  0.00128500  0.24778600  1.0
  Fe  Fe9  1  0.99871500  0.00128500  0.75221400  1.0
  Fe  Fe10  1  0.83402600  0.66264100  0.00000000  1.0
  Fe  Fe11  1  0.33735900  0.16597400  0.00000000  1.0