data_KMnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnCu2
_chemical_formula_sum   'K1 Mn1 Cu2'
_cell_volume   73.72
_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  K2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.55  0.55  0.0  1.0
  Cu  Cu0  1  0.55  0.0  0.42  1.0
  Cu  Cu1  1  0.0  0.55  0.42  1.0

data_KMnCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   2.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnCu2
_chemical_formula_sum   'K2 Mn2 Cu4'
_cell_volume   147.44
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.05  0.5  0.0  1.0
  Cu  Cu2  4  0.28  0.28  0.42  1.0

K Mn Cu Cu
K Mn Cu Cu 0 1 - - o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 0 0 o o + 1 3 o o - 1 3 o o o 1 3 + o - 1 3 + o o 1 2 o o - 1 2 o o o 1 2 o + - 1 2 o + o 1 1 o o + 2 3 + - o 2 2 o o + 3 3 o o + 
KMnCu2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 6-coordinate geometry to eight equivalent Cu(1) atoms. There are a spread of K(1)-Cu(1) bond distances ranging from 2.57-3.27 Å. Mn(1) is bonded in a 6-coordinate geometry to eight equivalent Cu(1) atoms. There are a spread of Mn(1)-Cu(1) bond distances ranging from 2.57-3.27 Å. Cu(1) is bonded in a 10-coordinate geometry to four equivalent K(1), four equivalent Mn(1), and two equivalent Cu(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.83 Å.