# generated using pymatgen
data_Cr2Fe3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54754197
_cell_length_b   7.27259181
_cell_length_c   5.41377681
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.00041078
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe3N4
_chemical_formula_sum   'Cr8 Fe12 N16'
_cell_volume   336.48413889
_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  0.67714600  0.12806900  0.34956200  1
  Cr  Cr1  1  0.32285400  0.12806900  0.15043800  1
  Cr  Cr2  1  0.32285400  0.87193100  0.65043800  1
  Cr  Cr3  1  0.67714600  0.87193100  0.84956200  1
  Cr  Cr4  1  0.17714600  0.62806900  0.34956200  1
  Cr  Cr5  1  0.82285400  0.62806900  0.15043800  1
  Cr  Cr6  1  0.82285400  0.37193100  0.65043800  1
  Cr  Cr7  1  0.17714600  0.37193100  0.84956200  1
  Fe  Fe8  1  0.88052500  0.09878400  0.99791500  1
  Fe  Fe9  1  0.11947500  0.09878400  0.50208500  1
  Fe  Fe10  1  0.11947500  0.90121600  0.00208500  1
  Fe  Fe11  1  0.88052500  0.90121600  0.49791500  1
  Fe  Fe12  1  0.50000000  0.84196200  0.25000000  1
  Fe  Fe13  1  0.50000000  0.15803800  0.75000000  1
  Fe  Fe14  1  0.38052500  0.59878400  0.99791500  1
  Fe  Fe15  1  0.61947500  0.59878400  0.50208500  1
  Fe  Fe16  1  0.61947500  0.40121600  0.00208500  1
  Fe  Fe17  1  0.38052500  0.40121600  0.49791500  1
  Fe  Fe18  1  0.00000000  0.34196200  0.25000000  1
  Fe  Fe19  1  0.00000000  0.65803800  0.75000000  1
  N  N20  1  0.39346500  0.67023100  0.46588300  1
  N  N21  1  0.60653500  0.67023100  0.03411700  1
  N  N22  1  0.60653500  0.32976900  0.53411700  1
  N  N23  1  0.39346500  0.32976900  0.96588300  1
  N  N24  1  0.65036200  0.10192000  0.00666700  1
  N  N25  1  0.34963800  0.10192000  0.49333300  1
  N  N26  1  0.34963800  0.89808000  0.99333300  1
  N  N27  1  0.65036200  0.89808000  0.50666700  1
  N  N28  1  0.89346500  0.17023100  0.46588300  1
  N  N29  1  0.10653500  0.17023100  0.03411700  1
  N  N30  1  0.10653500  0.82976900  0.53411700  1
  N  N31  1  0.89346500  0.82976900  0.96588300  1
  N  N32  1  0.15036200  0.60192000  0.00666700  1
  N  N33  1  0.84963800  0.60192000  0.49333300  1
  N  N34  1  0.84963800  0.39808000  0.99333300  1
  N  N35  1  0.15036200  0.39808000  0.50666700  1
