# generated using pymatgen
data_Ti(NbC)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47000629
_cell_length_b   5.47000644
_cell_length_c   5.48965956
_cell_angle_alpha   80.25538717
_cell_angle_beta   80.25537543
_cell_angle_gamma   119.73419938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbC)5
_chemical_formula_sum   'Ti1 Nb5 C5'
_cell_volume   134.27794975
_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
  Ti  Ti0  1  0.73299577  0.73299577  0.73323768  1.0
  Nb  Nb1  1  0.26299987  0.26299987  0.26402480  1.0
  Nb  Nb2  1  0.08299409  0.43730506  0.74725421  1.0
  Nb  Nb3  1  0.56369675  0.91578050  0.25244564  1.0
  Nb  Nb4  1  0.91578050  0.56369675  0.25244564  1.0
  Nb  Nb5  1  0.43730506  0.08299409  0.74725421  1.0
  C  C6  1  0.50270349  0.50270349  0.50242775  1.0
  C  C7  1  0.66643488  0.34074099  0.99704085  1.0
  C  C8  1  0.34074099  0.66643488  0.99704085  1.0
  C  C9  1  0.83215521  0.16219440  0.50341269  1.0
  C  C10  1  0.16219440  0.83215521  0.50341269  1.0