data_KTaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.93
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo2
_chemical_formula_sum   'K1 Ta1 Co2'
_cell_volume   73.32
_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
  K  K2  1  0.91  0.0  0.7  1.0
  Ta  Ta3  1  0.03  0.47  0.99  1.0
  Co  Co0  1  1.0  0.0  0.02  1.0
  Co  Co1  1  0.82  0.47  0.35  1.0

data_KTaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.93
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCo2
_chemical_formula_sum   'K1 Ta1 Co2'
_cell_volume   73.32
_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
  K  K0  1  0.91  0.0  0.7  1.0
  Ta  Ta1  1  0.03  0.47  0.99  1.0
  Co  Co2  1  0.82  0.47  0.35  1.0
  Co  Co3  1  1.0  0.0  0.02  1.0

K Ta Co Co
KTaCo2 crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted single-bond geometry to two equivalent Ta(1), one Co(1), and two equivalent Co(2) atoms. There is one shorter (2.78 Å) and one longer (3.07 Å) K(1)-Ta(1) bond length. The K(1)-Co(1) bond length is 1.75 Å. There is one shorter (2.97 Å) and one longer (3.23 Å) K(1)-Co(2) bond length. Ta(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Ta(1), two equivalent Co(1), and three equivalent Co(2) atoms. Both Ta(1)-Ta(1) bond lengths are 2.76 Å. There is one shorter (2.31 Å) and one longer (2.64 Å) Ta(1)-Co(1) bond length. There are a spread of Ta(1)-Co(2) bond distances ranging from 2.13-3.45 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one K(1) and two equivalent Ta(1) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and three equivalent Ta(1) atoms.