data_KMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Al
_chemical_formula_sum   'K1 Mn2 Al1'
_cell_volume   76.8
_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  0.55  0.55  0.0  1.0
  Mn  Mn2  1  0.55  0.0  0.48  1.0
  Mn  Mn3  1  0.0  0.55  0.48  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_KMn2Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMn2Al
_chemical_formula_sum   'K2 Mn4 Al2'
_cell_volume   153.6
_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  0.05  0.5  -0.0  1.0
  Mn  Mn1  4  0.27  0.27  0.48  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0

K Mn Mn Al
KMn2Al crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to eight equivalent Mn(1) atoms. There are a spread of K(1)-Mn(1) bond distances ranging from 2.71-3.18 Å. Mn(1) is bonded in a 10-coordinate geometry to four equivalent K(1), two equivalent Mn(1), and four equivalent Al(1) atoms. Both Mn(1)-Mn(1) bond lengths are 2.96 Å. There are a spread of Mn(1)-Al(1) bond distances ranging from 2.71-3.18 Å. Al(1) is bonded in a 4-coordinate geometry to eight equivalent Mn(1) atoms.