# generated using pymatgen
data_Ni(C4N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90321645
_cell_length_b   5.41050090
_cell_length_c   12.63510013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(C4N3)2
_chemical_formula_sum   'Ni2 C16 N12'
_cell_volume   471.91920598
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1
  C  C2  1  0.56738900  0.00000000  0.71362800  1
  C  C3  1  0.56738900  0.50000000  0.78637200  1
  C  C4  1  0.43261100  0.00000000  0.28637200  1
  C  C5  1  0.43261100  0.50000000  0.21362800  1
  C  C6  1  0.37569500  0.00000000  0.63757200  1
  C  C7  1  0.37569500  0.50000000  0.86242800  1
  C  C8  1  0.62430500  0.00000000  0.36242800  1
  C  C9  1  0.62430500  0.50000000  0.13757200  1
  C  C10  1  0.27610600  0.17139700  0.59758500  1
  C  C11  1  0.27610600  0.32860300  0.90241500  1
  C  C12  1  0.72389400  0.17139700  0.40241500  1
  C  C13  1  0.27610600  0.67139700  0.90241500  1
  C  C14  1  0.72389400  0.82860300  0.40241500  1
  C  C15  1  0.72389400  0.67139700  0.09758500  1
  C  C16  1  0.27610600  0.82860300  0.59758500  1
  C  C17  1  0.72389400  0.32860300  0.09758500  1
  N  N18  1  0.19010400  0.30865300  0.55780600  1
  N  N19  1  0.19010400  0.19134700  0.94219400  1
  N  N20  1  0.80989600  0.30865300  0.44219400  1
  N  N21  1  0.19010400  0.80865300  0.94219400  1
  N  N22  1  0.80989600  0.69134700  0.44219400  1
  N  N23  1  0.80989600  0.80865300  0.05780600  1
  N  N24  1  0.19010400  0.69134700  0.55780600  1
  N  N25  1  0.80989600  0.19134700  0.05780600  1
  N  N26  1  0.72623300  0.00000000  0.77654800  1
  N  N27  1  0.72623300  0.50000000  0.72345200  1
  N  N28  1  0.27376700  0.00000000  0.22345200  1
  N  N29  1  0.27376700  0.50000000  0.27654800  1
