data_KMn4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn4Cl
_chemical_formula_sum   'K1 Mn4 Cl1'
_cell_volume   128.26
_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  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.02  0.02  0.98  1.0
  Mn  Mn3  1  0.02  0.98  0.02  1.0
  Mn  Mn4  1  0.98  0.02  0.02  1.0
  Mn  Mn5  1  0.98  0.98  0.98  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KMn4Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   13.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KMn4Cl
_chemical_formula_sum   'K3 Mn12 Cl3'
_cell_volume   384.77
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  1.0  1.0
  Mn  Mn1  9  0.03  0.01  0.99  1.0
  Mn  Mn2  3  0.0  0.0  0.02  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

KMn4Cl is alpha oxygen-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three KMn4Cl clusters. K(1) is bonded in a single-bond geometry to three equivalent Mn(1) and one Cl(1) atom. All K(1)-Mn(1) bond lengths are 0.16 Å. The K(1)-Cl(1) bond length is 0.02 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one K(1) atom. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Cl(1) atom. The Mn(2)-Cl(1) bond length is 0.22 Å. Cl(1) is bonded in a single-bond geometry to one K(1) and one Mn(2) atom.