data_TaNb2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2C
_chemical_formula_sum   'Ta1 Nb2 C1'
_cell_volume   59.58
_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
  Ta  Ta3  1  0.75  0.0  0.0  1.0
  Nb  Nb1  1  0.38  0.64  0.65  1.0
  Nb  Nb2  1  0.38  0.36  0.65  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_TaNb2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.28
_cell_length_c   4.28
_cell_angle_alpha   99.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2C
_chemical_formula_sum   'Ta1 Nb2 C1'
_cell_volume   59.58
_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
  Ta  Ta0  1  0.0  0.75  0.0  1.0
  Nb  Nb1  1  0.65  0.38  0.36  1.0
  Nb  Nb2  1  0.65  0.38  0.64  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ta Nb Nb C