data_Nb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2C
_chemical_formula_sum   'Nb4 C2'
_cell_volume   82.79
_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  Nb2  1  0.51  0.89  0.95  1.0
  Nb  Nb3  1  0.51  0.11  0.27  1.0
  Nb  Nb4  1  0.51  0.59  0.74  1.0
  Nb  Nb5  1  0.51  0.41  0.06  1.0
  C  C0  1  0.51  0.74  0.92  1.0
  C  C1  1  0.51  0.26  0.25  1.0

data_Nb2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.34
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2C
_chemical_formula_sum   'Nb4 C2'
_cell_volume   82.79
_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  0.11  0.62  0.95  1.0
  Nb  Nb1  1  0.41  0.91  0.74  1.0
  Nb  Nb2  1  0.59  0.1  0.06  1.0
  Nb  Nb3  1  0.89  0.39  0.27  1.0
  C  C4  1  0.26  0.77  0.92  1.0
  C  C5  1  0.74  0.25  0.25  1.0

Nb Nb Nb Nb C C