data_KMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Si
_chemical_formula_sum   'K1 Mn2 Si1'
_cell_volume   78.21
_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  0.24  0.24  0.0  1.0
  Mn  Mn1  1  0.24  0.0  0.95  1.0
  Mn  Mn2  1  0.0  0.24  0.95  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_KMn2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMn2Si
_chemical_formula_sum   'K2 Mn4 Si2'
_cell_volume   156.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.0  1.0
  Mn  Mn1  4  0.12  0.12  0.95  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

K Mn Mn Si
K Mn Mn Si 0 2 o o - 0 1 o o - 1 3 o o + 2 3 o o + 
KMn2Si is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KMn2Si clusters. K(1) is bonded in an L-shaped geometry to two equivalent Mn(1) atoms. Both K(1)-Mn(1) bond lengths are 1.07 Å. Mn(1) is bonded in an L-shaped geometry to one K(1) and one Si(1) atom. The Mn(1)-Si(1) bond length is 1.07 Å. Si(1) is bonded in an L-shaped geometry to two equivalent Mn(1) atoms.