data_KMn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   7.04
_cell_angle_alpha   95.71
_cell_angle_beta   95.71
_cell_angle_gamma   35.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ag
_chemical_formula_sum   'K1 Mn2 Ag1'
_cell_volume   96.66
_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  K1  1  0.8  0.0  0.78  1.0
  Mn  Mn2  1  0.39  0.0  0.33  1.0
  Mn  Mn3  1  0.78  0.0  0.28  1.0
  Ag  Ag0  1  0.35  0.0  0.11  1.0

data_KMn2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.86
_cell_length_c   7.04
_cell_angle_alpha   95.71
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Ag
_chemical_formula_sum   'K1 Mn2 Ag1'
_cell_volume   96.66
_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  0.2  0.22  1.0
  Mn  Mn1  1  0.0  0.22  0.72  1.0
  Mn  Mn2  1  0.0  0.61  0.67  1.0
  Ag  Ag3  1  0.0  0.65  0.89  1.0

K Mn Mn Ag
K Mn Mn Ag 0 2 o o o 0 2 o o + 0 1 o o o 0 3 o o + 0 3 + o + 0 0 + - o 1 3 o o o 1 2 o o o 2 3 o o o 
KMn2Ag crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Mn(1), two equivalent Mn(2), and two equivalent Ag(1) atoms. Both K(1)-K(1) bond lengths are 2.98 Å. The K(1)-Mn(1) bond length is 3.56 Å. There is one shorter (3.51 Å) and one longer (3.54 Å) K(1)-Mn(2) bond length. There is one shorter (3.34 Å) and one longer (3.40 Å) K(1)-Ag(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one K(1), one Mn(2), and one Ag(1) atom. The Mn(1)-Mn(2) bond length is 1.98 Å. The Mn(1)-Ag(1) bond length is 1.53 Å. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Mn(1), and one Ag(1) atom. The Mn(2)-Ag(1) bond length is 2.29 Å. Ag(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Mn(1), and one Mn(2) atom.