# generated using pymatgen
data_Fe4CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98304812
_cell_length_b   2.70846453
_cell_length_c   11.33401224
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4CN4
_chemical_formula_sum   'Fe16 C4 N16'
_cell_volume   306.45731643
_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
  Fe  Fe0  1  0.25000000  0.11436500  0.13882300  1
  Fe  Fe1  1  0.25000000  0.61436500  0.36117700  1
  Fe  Fe2  1  0.75000000  0.88563500  0.86117700  1
  Fe  Fe3  1  0.75000000  0.38563500  0.63882300  1
  Fe  Fe4  1  0.25000000  0.88336400  0.07285100  1
  Fe  Fe5  1  0.25000000  0.38336400  0.42714900  1
  Fe  Fe6  1  0.75000000  0.11663600  0.92714900  1
  Fe  Fe7  1  0.75000000  0.61663600  0.57285100  1
  Fe  Fe8  1  0.25000000  0.43731700  0.85074000  1
  Fe  Fe9  1  0.25000000  0.93731700  0.64926000  1
  Fe  Fe10  1  0.75000000  0.56268300  0.14926000  1
  Fe  Fe11  1  0.75000000  0.06268300  0.35074000  1
  Fe  Fe12  1  0.25000000  0.18260100  0.73207600  1
  Fe  Fe13  1  0.25000000  0.68260100  0.76792400  1
  Fe  Fe14  1  0.75000000  0.81739900  0.26792400  1
  Fe  Fe15  1  0.75000000  0.31739900  0.23207600  1
  C  C16  1  0.25000000  0.36082300  0.00457300  1
  C  C17  1  0.25000000  0.86082300  0.49542700  1
  C  C18  1  0.75000000  0.63917700  0.99542700  1
  C  C19  1  0.75000000  0.13917700  0.50457300  1
  N  N20  1  0.25000000  0.69698500  0.21513900  1
  N  N21  1  0.25000000  0.19698500  0.28486100  1
  N  N22  1  0.75000000  0.30301500  0.78486100  1
  N  N23  1  0.75000000  0.80301500  0.71513900  1
  N  N24  1  0.25000000  0.02109500  0.83029400  1
  N  N25  1  0.25000000  0.52109500  0.66970600  1
  N  N26  1  0.75000000  0.97890500  0.16970600  1
  N  N27  1  0.75000000  0.47890500  0.33029400  1
  N  N28  1  0.25000000  0.22563800  0.00631400  1
  N  N29  1  0.25000000  0.72563800  0.49368600  1
  N  N30  1  0.75000000  0.77436200  0.99368600  1
  N  N31  1  0.75000000  0.27436200  0.50631400  1
  N  N32  1  0.25000000  0.42435900  0.11186600  1
  N  N33  1  0.25000000  0.92435900  0.38813400  1
  N  N34  1  0.75000000  0.57564100  0.88813400  1
  N  N35  1  0.75000000  0.07564100  0.61186600  1
