# generated using pymatgen
data_Nb16Ni8CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23325590
_cell_length_b   8.25372467
_cell_length_c   8.23325578
_cell_angle_alpha   60.08200251
_cell_angle_beta   60.00000048
_cell_angle_gamma   60.08200464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb16Ni8CN3
_chemical_formula_sum   'Nb16 Ni8 C1 N3'
_cell_volume   396.10962303
_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
  Nb  Nb0  1  0.43181995  0.06931139  0.06704871  1.0
  Nb  Nb1  1  0.06612173  0.43352420  0.43423134  1.0
  Nb  Nb2  1  0.06612173  0.43352420  0.06612173  1.0
  Nb  Nb3  1  0.06704871  0.06931139  0.43181995  1.0
  Nb  Nb4  1  0.43181995  0.06931139  0.43181995  1.0
  Nb  Nb5  1  0.43423134  0.43352420  0.06612173  1.0
  Nb  Nb6  1  0.18387827  0.81647580  0.18387827  1.0
  Nb  Nb7  1  0.81818005  0.18068861  0.81818005  1.0
  Nb  Nb8  1  0.81818005  0.18068861  0.18295129  1.0
  Nb  Nb9  1  0.18295129  0.18068861  0.81818005  1.0
  Nb  Nb10  1  0.18387827  0.81647580  0.81576866  1.0
  Nb  Nb11  1  0.81576866  0.81647580  0.18387827  1.0
  Nb  Nb12  1  0.62500000  0.62500000  0.62500000  1.0
  Nb  Nb13  1  0.62500000  0.62500000  0.12500000  1.0
  Nb  Nb14  1  0.12500000  0.62500000  0.62500000  1.0
  Nb  Nb15  1  0.62500000  0.12500000  0.62500000  1.0
  Ni  Ni16  1  0.82843998  0.82997311  0.82843998  1.0
  Ni  Ni17  1  0.82843998  0.82997311  0.51314492  1.0
  Ni  Ni18  1  0.51314492  0.82997311  0.82843998  1.0
  Ni  Ni19  1  0.82987717  0.51036850  0.82987717  1.0
  Ni  Ni20  1  0.42156002  0.42002689  0.42156002  1.0
  Ni  Ni21  1  0.42156002  0.42002689  0.73685508  1.0
  Ni  Ni22  1  0.42012283  0.73963150  0.42012283  1.0
  Ni  Ni23  1  0.73685508  0.42002689  0.42156002  1.0
  C  C24  1  0.12500000  0.62500000  0.12500000  1.0
  N  N25  1  0.62500000  0.12500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0