data_KYMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.78
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMo2
_chemical_formula_sum   'K1 Y1 Mo2'
_cell_volume   120.79
_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
  Y  Y3  1  0.0  0.0  0.8  1.0
  Mo  Mo1  1  0.66  0.39  0.71  1.0
  Mo  Mo2  1  0.66  0.39  0.89  1.0

data_KYMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.78
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMo2
_chemical_formula_sum   'K1 Y1 Mo2'
_cell_volume   120.79
_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
  Y  Y1  1  0.0  0.0  0.8  1.0
  Mo  Mo2  1  0.66  0.39  0.71  1.0
  Mo  Mo3  1  0.66  0.39  0.89  1.0

K Y Mo Mo
K Y Mo Mo 0 1 o o - 2 3 o o o 
KYMo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KYMo2 cluster. K(1) is bonded in a distorted single-bond geometry to one Y(1) and one Mo(2) atom. The K(1)-Y(1) bond length is 1.50 Å. The K(1)-Mo(2) bond length is 2.32 Å. Y(1) is bonded in a distorted single-bond geometry to one K(1), one Mo(1), and one Mo(2) atom. The Y(1)-Mo(1) bond length is 2.28 Å. The Y(1)-Mo(2) bond length is 2.28 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Y(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.36 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one K(1), one Y(1), and one Mo(1) atom.