# generated using pymatgen
data_Ni2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35416416
_cell_length_b   5.35416416
_cell_length_c   27.58567388
_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   'Ni12 C18 N36'
_cell_volume   684.85336596
_cell_formula_units_Z   6
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  0.33333300  0.66666700  0.83203100  1
  Ni  Ni1  1  0.66666700  0.33333300  0.99869800  1
  Ni  Ni2  1  0.00000000  0.00000000  0.83463600  1
  Ni  Ni3  1  0.66666700  0.33333300  0.66796900  1
  Ni  Ni4  1  0.00000000  0.00000000  0.16536400  1
  Ni  Ni5  1  0.33333300  0.66666700  0.33203100  1
  Ni  Ni6  1  0.66666700  0.33333300  0.16796900  1
  Ni  Ni7  1  0.33333300  0.66666700  0.00130200  1
  Ni  Ni8  1  0.66666700  0.33333300  0.49869800  1
  Ni  Ni9  1  0.00000000  0.00000000  0.66536400  1
  Ni  Ni10  1  0.33333300  0.66666700  0.50130200  1
  Ni  Ni11  1  0.00000000  0.00000000  0.33463600  1
  C  C12  1  0.68056000  0.00000000  0.75000000  1
  C  C13  1  0.31944000  0.31944000  0.75000000  1
  C  C14  1  0.00000000  0.68056000  0.75000000  1
  C  C15  1  0.33333300  0.98610700  0.91666700  1
  C  C16  1  0.65277400  0.66666700  0.91666700  1
  C  C17  1  0.01389300  0.34722600  0.91666700  1
  C  C18  1  0.34722600  0.33333300  0.08333300  1
  C  C19  1  0.98610700  0.65277400  0.08333300  1
  C  C20  1  0.66666700  0.01389300  0.08333300  1
  C  C21  1  -0.00000000  0.31944000  0.25000000  1
  C  C22  1  0.31944000  0.00000000  0.25000000  1
  C  C23  1  0.68056000  0.68056000  0.25000000  1
  C  C24  1  0.01389300  0.66666700  0.41666700  1
  C  C25  1  0.65277400  0.98610700  0.41666700  1
  C  C26  1  0.33333300  0.34722600  0.41666700  1
  C  C27  1  0.66666700  0.65277400  0.58333300  1
  C  C28  1  0.98610700  0.33333300  0.58333300  1
  C  C29  1  0.34722600  0.01389300  0.58333300  1
  N  N30  1  0.66683600  0.96345700  0.79400000  1
  N  N31  1  0.29662100  0.33316400  0.79400000  1
  N  N32  1  0.03654300  0.70337900  0.79400000  1
  N  N33  1  0.36987700  0.99983000  0.96066600  1
  N  N34  1  0.62995400  0.63012300  0.96066600  1
  N  N35  1  0.00017000  0.37004600  0.96066600  1
  N  N36  1  0.66649700  0.70321000  0.87266700  1
  N  N37  1  0.03671300  0.33350300  0.87266700  1
  N  N38  1  0.29679000  0.96328700  0.87266700  1
  N  N39  1  0.96345700  0.66683600  0.70600000  1
  N  N40  1  0.70337900  0.03654300  0.70600000  1
  N  N41  1  0.33316400  0.29662100  0.70600000  1
  N  N42  1  0.33350300  0.29679000  0.12733300  1
  N  N43  1  0.96328700  0.66649700  0.12733300  1
  N  N44  1  0.70321000  0.03671300  0.12733300  1
  N  N45  1  0.03654300  0.33316400  0.29400000  1
  N  N46  1  0.29662100  0.96345700  0.29400000  1
  N  N47  1  0.66683600  0.70337900  0.29400000  1
  N  N48  1  0.33316400  0.03654300  0.20600000  1
  N  N49  1  0.70337900  0.66683600  0.20600000  1
  N  N50  1  0.96345700  0.29662100  0.20600000  1
  N  N51  1  0.63012300  0.00017000  0.03933400  1
  N  N52  1  0.37004600  0.36987700  0.03933400  1
  N  N53  1  0.99983000  0.62995400  0.03933400  1
  N  N54  1  0.00017000  0.63012300  0.46066600  1
  N  N55  1  0.62995400  0.99983000  0.46066600  1
  N  N56  1  0.36987700  0.37004600  0.46066600  1
  N  N57  1  0.70321000  0.66649700  0.62733300  1
  N  N58  1  0.96328700  0.29679000  0.62733300  1
  N  N59  1  0.33350300  0.03671300  0.62733300  1
  N  N60  1  0.99983000  0.36987700  0.53933400  1
  N  N61  1  0.37004600  0.00017000  0.53933400  1
  N  N62  1  0.63012300  0.62995400  0.53933400  1
  N  N63  1  0.29679000  0.33350300  0.37266700  1
  N  N64  1  0.03671300  0.70321000  0.37266700  1
  N  N65  1  0.66649700  0.96328700  0.37266700  1
