data_KNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbMo2
_chemical_formula_sum   'K1 Nb1 Mo2'
_cell_volume   81.8
_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  0.59  1.0
  Nb  Nb3  1  0.61  0.0  0.94  1.0
  Mo  Mo1  1  0.61  0.0  0.23  1.0
  Mo  Mo2  1  0.0  0.0  0.17  1.0

data_KNbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbMo2
_chemical_formula_sum   'K1 Nb1 Mo2'
_cell_volume   81.8
_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  0.59  1.0
  Nb  Nb1  1  0.61  0.0  0.94  1.0
  Mo  Mo2  1  0.0  0.0  0.17  1.0
  Mo  Mo3  1  0.61  0.0  0.23  1.0

K Nb Mo Mo
KNbMo2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to six equivalent K(1), two equivalent Nb(1), and two equivalent Mo(1) atoms. There are four shorter (2.85 Å) and two longer (3.22 Å) K(1)-K(1) bond lengths. There is one shorter (3.93 Å) and one longer (4.16 Å) K(1)-Nb(1) bond length. There is one shorter (4.05 Å) and one longer (4.27 Å) K(1)-Mo(1) bond length. Nb(1) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Mo(2) atom. The Nb(1)-Mo(2) bond length is 2.67 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Mo(2) atoms. There is one shorter (1.29 Å) and one longer (1.87 Å) Mo(1)-Mo(2) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Mo(1) atoms.