data_KYMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   6.19
_cell_angle_alpha   103.4
_cell_angle_beta   103.4
_cell_angle_gamma   31.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMn2
_chemical_formula_sum   'K1 Y1 Mn2'
_cell_volume   106.13
_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  0.81  0.0  0.77  1.0
  Y  Y3  1  0.61  0.0  0.4  1.0
  Mn  Mn1  1  0.41  0.0  0.22  1.0
  Mn  Mn2  1  0.61  0.0  0.62  1.0

data_KYMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.78
_cell_length_c   6.19
_cell_angle_alpha   103.4
_cell_angle_beta   90.0
_cell_angle_gamma   105.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYMn2
_chemical_formula_sum   'K1 Y1 Mn2'
_cell_volume   106.13
_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  0.19  0.23  1.0
  Y  Y1  1  0.0  0.39  0.6  1.0
  Mn  Mn2  1  0.0  0.39  0.38  1.0
  Mn  Mn3  1  0.0  0.59  0.78  1.0

K Y Mn Mn
KYMn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KYMn2 cluster. K(1) is bonded in a single-bond geometry to one Mn(2) atom. The K(1)-Mn(2) bond length is 1.29 Å. Y(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. The Y(1)-Mn(1) bond length is 1.40 Å. The Y(1)-Mn(2) bond length is 1.36 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Mn site, Mn(2) is bonded in a bent 120 degrees geometry to one K(1) and one Y(1) atom.