data_KTaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.49
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaMo2
_chemical_formula_sum   'K1 Ta1 Mo2'
_cell_volume   98.8
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.82  0.0  0.84  1.0
  Mo  Mo1  1  0.92  0.25  0.72  1.0
  Mo  Mo2  1  0.71  0.25  0.95  1.0

data_KTaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.49
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   99.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaMo2
_chemical_formula_sum   'K1 Ta1 Mo2'
_cell_volume   98.8
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.82  0.0  0.84  1.0
  Mo  Mo2  1  0.71  0.25  0.95  1.0
  Mo  Mo3  1  0.92  0.25  0.72  1.0

K Ta Mo Mo
K Ta Mo Mo 0 3 - o - 0 1 - o - 1 3 o o o 1 2 o o o 
KTaMo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KTaMo2 cluster. K(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Mo(2) atom. The K(1)-Ta(1) bond length is 1.30 Å. The K(1)-Mo(2) bond length is 1.39 Å. Ta(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one Mo(2) atom. The Ta(1)-Mo(1) bond length is 1.49 Å. The Ta(1)-Mo(2) bond length is 1.49 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one K(1) and one Ta(1) atom.