data_TaMo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2C
_chemical_formula_sum   'Ta1 Mo2 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
  Ta  Ta3  1  0.67  0.0  0.0  1.0
  Mo  Mo1  1  0.34  0.64  0.61  1.0
  Mo  Mo2  1  0.34  0.36  0.61  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_TaMo2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   101.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2C
_chemical_formula_sum   'Ta1 Mo2 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
  Ta  Ta0  1  0.0  0.67  0.0  1.0
  Mo  Mo1  1  0.61  0.34  0.36  1.0
  Mo  Mo2  1  0.61  0.34  0.64  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Ta Mo Mo C
TaMo2C crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1), two equivalent Mo(2), and one C(1) atom. There is one shorter (2.25 Å) and one longer (2.70 Å) Ta(1)-Mo(1) bond length. There is one shorter (2.61 Å) and one longer (3.01 Å) Ta(1)-Mo(2) bond length. The Ta(1)-C(1) bond length is 1.39 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to two equivalent Ta(1), one Mo(2), and one C(1) atom. The Mo(1)-Mo(2) bond length is 1.18 Å. The Mo(1)-C(1) bond length is 2.61 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Mo(1), and two equivalent C(1) atoms. There is one shorter (2.25 Å) and one longer (2.70 Å) Mo(2)-C(1) bond length. C(1) is bonded in a distorted single-bond geometry to one Ta(1), one Mo(1), and two equivalent Mo(2) atoms.