# generated using pymatgen
data_CrFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85085016
_cell_length_b   3.99425580
_cell_length_c   20.11126772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe4
_chemical_formula_sum   'Cr4 Fe16'
_cell_volume   229.00750402
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr1  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr2  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr3  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.19976400  1
  Fe  Fe5  1  0.00000000  0.00000000  0.80023600  1
  Fe  Fe6  1  0.50000000  0.00000000  0.69976400  1
  Fe  Fe7  1  0.50000000  0.00000000  0.30023600  1
  Fe  Fe8  1  0.50000000  0.50000000  0.19976400  1
  Fe  Fe9  1  0.50000000  0.50000000  0.80023600  1
  Fe  Fe10  1  0.00000000  0.50000000  0.69976400  1
  Fe  Fe11  1  0.00000000  0.50000000  0.30023600  1
  Fe  Fe12  1  0.00000000  0.00000000  0.40036400  1
  Fe  Fe13  1  0.00000000  0.00000000  0.59963600  1
  Fe  Fe14  1  0.50000000  0.00000000  0.90036400  1
  Fe  Fe15  1  0.50000000  0.00000000  0.09963600  1
  Fe  Fe16  1  0.50000000  0.50000000  0.40036400  1
  Fe  Fe17  1  0.50000000  0.50000000  0.59963600  1
  Fe  Fe18  1  0.00000000  0.50000000  0.90036400  1
  Fe  Fe19  1  0.00000000  0.50000000  0.09963600  1
