data_Ti2NbC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   3.07
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   115.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbC
_chemical_formula_sum   'Ti2 Nb1 C1'
_cell_volume   56.41
_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  Ti2  1  0.56  0.0  0.07  1.0
  Ti  Ti3  1  0.19  0.54  0.67  1.0
  Nb  Nb1  1  0.36  0.54  0.44  1.0
  C  C0  1  0.31  0.0  0.07  1.0

data_Ti2NbC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.5
_cell_length_c   4.52
_cell_angle_alpha   115.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbC
_chemical_formula_sum   'Ti2 Nb1 C1'
_cell_volume   56.41
_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  0.0  0.44  0.93  1.0
  Ti  Ti1  1  0.46  0.81  0.33  1.0
  Nb  Nb2  1  0.46  0.64  0.56  1.0
  C  C3  1  0.0  0.69  0.93  1.0

Ti Ti Nb C
Ti Ti Nb C 0 3 o o o 1 2 o o o 