# generated using pymatgen
data_Ni2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81519364
_cell_length_b   4.81519364
_cell_length_c   15.04996693
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2(CN2)3
_chemical_formula_sum   'Ni6 C9 N18'
_cell_volume   302.19946470
_cell_formula_units_Z   3
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  0.00000000  0.16878900  1
  Ni  Ni1  1  0.66666700  0.33333300  0.16454400  1
  Ni  Ni2  1  0.66666700  0.33333300  0.50212200  1
  Ni  Ni3  1  0.33333300  0.66666700  0.49787800  1
  Ni  Ni4  1  0.33333300  0.66666700  0.83545600  1
  Ni  Ni5  1  0.00000000  0.00000000  0.83121100  1
  C  C6  1  0.66666700  0.00286900  0.33333300  1
  C  C7  1  0.66953600  0.00000000  0.00000000  1
  C  C8  1  0.33046400  0.33046400  0.00000000  1
  C  C9  1  0.33333300  0.33620200  0.66666700  1
  C  C10  1  0.33620200  0.33333300  0.33333300  1
  C  C11  1  0.99713100  0.66379800  0.33333300  1
  C  C12  1  0.00000000  0.66953600  0.00000000  1
  C  C13  1  0.00286900  0.66666700  0.66666700  1
  C  C14  1  0.66379800  0.99713100  0.66666700  1
  N  N15  1  0.33824400  0.32384100  0.08190200  1
  N  N16  1  0.98559700  0.66175600  0.08190200  1
  N  N17  1  0.67615900  0.01440300  0.08190200  1
  N  N18  1  0.99050800  0.67157800  0.25143100  1
  N  N19  1  0.32842200  0.31893000  0.25143100  1
  N  N20  1  0.68107000  0.00949200  0.25143100  1
  N  N21  1  0.00491100  0.65717500  0.41523500  1
  N  N22  1  0.65226400  0.99508900  0.41523500  1
  N  N23  1  0.34282500  0.34773600  0.41523500  1
  N  N24  1  0.65717500  0.00491100  0.58476500  1
  N  N25  1  0.99508900  0.65226400  0.58476500  1
  N  N26  1  0.34773600  0.34282500  0.58476500  1
  N  N27  1  0.67157800  0.99050800  0.74856900  1
  N  N28  1  0.31893000  0.32842200  0.74856900  1
  N  N29  1  0.00949200  0.68107000  0.74856900  1
  N  N30  1  0.32384100  0.33824400  0.91809800  1
  N  N31  1  0.66175600  0.98559700  0.91809800  1
  N  N32  1  0.01440300  0.67615900  0.91809800  1
