# generated using pymatgen
data_Ni(CN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.79356136
_cell_length_b   3.00897103
_cell_length_c   6.37209722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni(CN)2
_chemical_formula_sum   'Ni4 C8 N8'
_cell_volume   264.47024093
_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
  Ni  Ni0  1  0.25000000  0.47103400  0.63625300  1
  Ni  Ni1  1  0.25000000  0.02896600  0.13625300  1
  Ni  Ni2  1  0.75000000  0.52896600  0.36374700  1
  Ni  Ni3  1  0.75000000  0.97103400  0.86374700  1
  C  C4  1  0.25000000  0.12771300  0.78948700  1
  C  C5  1  0.25000000  0.37228700  0.28948700  1
  C  C6  1  0.75000000  0.87228700  0.21051300  1
  C  C7  1  0.75000000  0.62771300  0.71051300  1
  C  C8  1  0.25000000  0.83245300  0.95030300  1
  C  C9  1  0.25000000  0.66754700  0.45030300  1
  C  C10  1  0.75000000  0.16754700  0.04969700  1
  C  C11  1  0.75000000  0.33245300  0.54969700  1
  N  N12  1  0.25000000  0.68362600  0.53565800  1
  N  N13  1  0.25000000  0.81637400  0.03565800  1
  N  N14  1  0.75000000  0.31637400  0.46434200  1
  N  N15  1  0.75000000  0.18362600  0.96434200  1
  N  N16  1  0.25000000  0.25794400  0.72904400  1
  N  N17  1  0.25000000  0.24205600  0.22904400  1
  N  N18  1  0.75000000  0.74205600  0.27095600  1
  N  N19  1  0.75000000  0.75794400  0.77095600  1
