# generated using pymatgen
data_Nb6Zn6CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28414378
_cell_length_b   8.28414310
_cell_length_c   8.26330391
_cell_angle_alpha   60.08318284
_cell_angle_beta   60.08318557
_cell_angle_gamma   60.17083666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Zn6CN
_chemical_formula_sum   'Nb12 Zn12 C2 N2'
_cell_volume   402.01091756
_cell_formula_units_Z   2
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  0.68016264  0.31913468  0.31784390  1.0
  Nb  Nb1  1  0.31913468  0.68016264  0.68285877  1.0
  Nb  Nb2  1  0.31913468  0.68016264  0.31784390  1.0
  Nb  Nb3  1  0.31744574  0.31744574  0.68255426  1.0
  Nb  Nb4  1  0.68016264  0.31913468  0.68285877  1.0
  Nb  Nb5  1  0.68032048  0.68032048  0.31967952  1.0
  Nb  Nb6  1  0.93086532  0.56983736  0.93215610  1.0
  Nb  Nb7  1  0.56983736  0.93086532  0.56714123  1.0
  Nb  Nb8  1  0.56983736  0.93086532  0.93215610  1.0
  Nb  Nb9  1  0.93255426  0.93255426  0.56744574  1.0
  Nb  Nb10  1  0.93086532  0.56983736  0.56714123  1.0
  Nb  Nb11  1  0.56967952  0.56967952  0.93032048  1.0
  Zn  Zn12  1  0.12500000  0.12500000  0.12500000  1.0
  Zn  Zn13  1  0.12500000  0.12500000  0.62500000  1.0
  Zn  Zn14  1  0.62500000  0.12500000  0.12500000  1.0
  Zn  Zn15  1  0.12500000  0.62500000  0.12500000  1.0
  Zn  Zn16  1  0.91841317  0.91841317  0.91838967  1.0
  Zn  Zn17  1  0.91841317  0.91841317  0.24478700  1.0
  Zn  Zn18  1  0.24499424  0.91843619  0.91828679  1.0
  Zn  Zn19  1  0.91843619  0.24499424  0.91828679  1.0
  Zn  Zn20  1  0.33158783  0.33158783  0.33161133  1.0
  Zn  Zn21  1  0.33158783  0.33158783  0.00521300  1.0
  Zn  Zn22  1  0.33156481  0.00500576  0.33171421  1.0
  Zn  Zn23  1  0.00500576  0.33156481  0.33171421  1.0
  C  C24  1  0.12499900  0.62500100  0.62500100  1.0
  C  C25  1  0.62500100  0.12499900  0.62500100  1.0
  N  N26  1  0.62500100  0.62500100  0.62500100  1.0
  N  N27  1  0.62500100  0.62500100  0.12499900  1.0