# generated using pymatgen
data_Nb6C2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41860768
_cell_length_b   5.41860714
_cell_length_c   4.96391326
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6C2N
_chemical_formula_sum   'Nb6 C2 N1'
_cell_volume   126.22057323
_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  0.66240146  0.66240146  0.75366181  1.0
  Nb  Nb1  1  1.00000000  0.33759854  0.75366181  1.0
  Nb  Nb2  1  0.33759854  1.00000000  0.75366181  1.0
  Nb  Nb3  1  0.33759854  0.33759854  0.24633819  1.0
  Nb  Nb4  1  0.00000000  0.66240146  0.24633819  1.0
  Nb  Nb5  1  0.66240146  0.00000000  0.24633819  1.0
  C  C6  1  0.66666700  0.33333300  0.50000000  1.0
  C  C7  1  0.33333300  0.66666700  0.50000000  1.0
  N  N8  1  0.00000000  0.00000000  0.00000000  1.0