# generated using pymatgen
data_NbCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88492457
_cell_length_b   4.88492457
_cell_length_c   7.80250300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.76324468
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCrFe
_chemical_formula_sum   'Nb4 Cr4 Fe4'
_cell_volume   159.98840735
_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
  Nb  Nb0  1  0.33315700  0.66684300  0.19243400  1.0
  Nb  Nb1  1  0.66580700  0.33419300  0.31467600  1.0
  Nb  Nb2  1  0.66580700  0.33419300  0.68532400  1.0
  Nb  Nb3  1  0.33315700  0.66684300  0.80756600  1.0
  Cr  Cr4  1  0.99914000  0.00086000  0.25909600  1.0
  Cr  Cr5  1  0.99914000  0.00086000  0.74090400  1.0
  Cr  Cr6  1  0.82989400  0.65833000  0.00000000  1.0
  Cr  Cr7  1  0.34167000  0.17010600  0.00000000  1.0
  Fe  Fe8  1  0.82917800  0.17082200  0.00000000  1.0
  Fe  Fe9  1  0.17163000  0.34111100  0.50000000  1.0
  Fe  Fe10  1  0.65888900  0.82837000  0.50000000  1.0
  Fe  Fe11  1  0.17253700  0.82746300  0.50000000  1.0