# generated using pymatgen
data_Ni4CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04691880
_cell_length_b   2.77382084
_cell_length_c   15.19119620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4CN4
_chemical_formula_sum   'Ni16 C4 N16'
_cell_volume   381.21595772
_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  0.03933500  0.15598500  1
  Ni  Ni1  1  0.25000000  0.53933500  0.34401500  1
  Ni  Ni2  1  0.75000000  0.96066500  0.84401500  1
  Ni  Ni3  1  0.75000000  0.46066500  0.65598500  1
  Ni  Ni4  1  0.25000000  0.85642600  0.03427300  1
  Ni  Ni5  1  0.25000000  0.35642600  0.46572700  1
  Ni  Ni6  1  0.75000000  0.14357400  0.96572700  1
  Ni  Ni7  1  0.75000000  0.64357400  0.53427300  1
  Ni  Ni8  1  0.25000000  0.44627000  0.81304900  1
  Ni  Ni9  1  0.25000000  0.94627000  0.68695100  1
  Ni  Ni10  1  0.75000000  0.55373000  0.18695100  1
  Ni  Ni11  1  0.75000000  0.05373000  0.31304900  1
  Ni  Ni12  1  0.25000000  0.18836500  0.78413000  1
  Ni  Ni13  1  0.25000000  0.68836500  0.71587000  1
  Ni  Ni14  1  0.75000000  0.81163500  0.21587000  1
  Ni  Ni15  1  0.75000000  0.31163500  0.28413000  1
  C  C16  1  0.25000000  0.33268400  0.08345300  1
  C  C17  1  0.25000000  0.83268400  0.41654700  1
  C  C18  1  0.75000000  0.66731600  0.91654700  1
  C  C19  1  0.75000000  0.16731600  0.58345300  1
  N  N20  1  0.25000000  0.66593700  0.24335300  1
  N  N21  1  0.25000000  0.16593700  0.25664700  1
  N  N22  1  0.75000000  0.33406300  0.75664700  1
  N  N23  1  0.75000000  0.83406300  0.74335300  1
  N  N24  1  0.25000000  0.09313200  0.88888700  1
  N  N25  1  0.25000000  0.59313200  0.61111300  1
  N  N26  1  0.75000000  0.90686800  0.11111300  1
  N  N27  1  0.75000000  0.40686800  0.38888700  1
  N  N28  1  0.25000000  0.20460300  0.05267800  1
  N  N29  1  0.25000000  0.70460300  0.44732200  1
  N  N30  1  0.75000000  0.79539700  0.94732200  1
  N  N31  1  0.75000000  0.29539700  0.55267800  1
  N  N32  1  0.25000000  0.45200500  0.12030500  1
  N  N33  1  0.25000000  0.95200500  0.37969500  1
  N  N34  1  0.75000000  0.54799500  0.87969500  1
  N  N35  1  0.75000000  0.04799500  0.62030500  1
