# generated using pymatgen
data_Nb12N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32204365
_cell_length_b   8.32204365
_cell_length_c   5.41903173
_cell_angle_alpha   89.67633932
_cell_angle_beta   89.67633932
_cell_angle_gamma   44.21645609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12N11
_chemical_formula_sum   'Nb12 N11'
_cell_volume   261.72033676
_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  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.15582200  0.68661600  0.84660900  1.0
  Nb  Nb2  1  0.84417800  0.31338400  0.15339100  1.0
  Nb  Nb3  1  0.31338400  0.84417800  0.15339100  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.50000000  1.0
  Nb  Nb5  1  0.68661600  0.15582200  0.84660900  1.0
  Nb  Nb6  1  0.92190800  0.92190800  0.31409900  1.0
  Nb  Nb7  1  0.58434900  0.58434900  0.67520200  1.0
  Nb  Nb8  1  0.24983600  0.24983600  0.99610200  1.0
  Nb  Nb9  1  0.41565100  0.41565100  0.32479800  1.0
  Nb  Nb10  1  0.07809200  0.07809200  0.68590100  1.0
  Nb  Nb11  1  0.75016400  0.75016400  0.00389800  1.0
  N  N12  1  0.74894200  0.25105800  0.50000000  1.0
  N  N13  1  0.41670700  0.91794700  0.83309000  1.0
  N  N14  1  0.08205300  0.58329300  0.16691000  1.0
  N  N15  1  0.58329300  0.08205300  0.16691000  1.0
  N  N16  1  0.25105800  0.74894200  0.50000000  1.0
  N  N17  1  0.91794700  0.41670700  0.83309000  1.0
  N  N18  1  0.83544100  0.83544100  0.65995500  1.0
  N  N19  1  0.50000000  0.50000000  0.00000000  1.0
  N  N20  1  0.16455900  0.16455900  0.34004500  1.0
  N  N21  1  0.66204600  0.66204600  0.33124900  1.0
  N  N22  1  0.33795400  0.33795400  0.66875100  1.0