# generated using pymatgen
data_Ni2(CN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73546366
_cell_length_b   4.81519517
_cell_length_c   15.04996727
_cell_angle_alpha   90.00000269
_cell_angle_beta   151.00632666
_cell_angle_gamma   65.17968363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2(CN2)3
_chemical_formula_sum   'Ni2 C3 N6'
_cell_volume   100.73314593
_cell_formula_units_Z   1
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  0.83121100  1.0
  Ni  Ni1  1  0.00000000  0.00000000  0.16878900  1.0
  C  C2  1  0.00860800  0.66092800  0.66953600  1.0
  C  C3  1  0.00000000  0.66953600  0.00000000  1.0
  C  C4  1  0.99139200  0.66953600  0.33046400  1.0
  N  N5  1  0.97152400  0.69056200  0.24193900  1.0
  N  N6  1  0.98526600  0.66208600  0.57985400  1.0
  N  N7  1  0.04320900  0.64735300  0.93250100  1.0
  N  N8  1  0.01473400  0.64735300  0.42014600  1.0
  N  N9  1  0.95679100  0.69056200  0.06749900  1.0
  N  N10  1  0.02847600  0.66208600  0.75806100  1.0