data_Ta2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Co
_chemical_formula_sum   'Ta4 Co2'
_cell_volume   94.18
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.6  1.0
  Ta  Ta4  1  0.0  0.64  0.91  1.0
  Ta  Ta5  1  0.29  0.32  0.3  1.0
  Co  Co0  1  0.0  0.64  0.3  1.0
  Co  Co1  1  0.29  0.32  0.91  1.0

data_Ta2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Co
_chemical_formula_sum   'Ta4 Co2'
_cell_volume   94.18
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.6  1.0
  Ta  Ta2  1  0.0  0.64  0.91  1.0
  Ta  Ta3  1  0.29  0.32  0.3  1.0
  Co  Co4  1  0.0  0.64  0.3  1.0
  Co  Co5  1  0.29  0.32  0.91  1.0

Ta Ta Ta Ta Co Co
Ta2Co crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Ta(3), one Co(1), and one Co(2) atom. The Ta(1)-Ta(3) bond length is 1.72 Å. The Ta(1)-Co(1) bond length is 2.28 Å. The Ta(1)-Co(2) bond length is 1.47 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one Co(1) and one Co(2) atom. The Ta(2)-Co(1) bond length is 2.28 Å. The Ta(2)-Co(2) bond length is 2.10 Å. In the third Ta site, Ta(3) is bonded in a 3-coordinate geometry to one Ta(1), one Co(1), and one Co(2) atom. The Ta(3)-Co(1) bond length is 2.06 Å. The Ta(3)-Co(2) bond length is 2.39 Å. In the fourth Ta site, Ta(4) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. The Ta(4)-Co(2) bond length is 2.06 Å. There is one shorter (2.39 Å) and one longer (2.83 Å) Ta(4)-Co(1) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one Ta(1), one Ta(2), one Ta(3), and two equivalent Ta(4) atoms. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(2), one Ta(3), and one Ta(4) atom.