data_KMn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.72
_cell_length_c   9.72
_cell_angle_alpha   15.82
_cell_angle_beta   15.82
_cell_angle_gamma   15.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMn2Cu
_chemical_formula_sum   'K1 Mn2 Cu1'
_cell_volume   59.6
_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  0.59  1.0
  Mn  Mn2  1  0.0  0.0  0.27  1.0
  Mn  Mn3  1  0.0  0.0  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.81  1.0

data_KMn2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   2.68
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   99.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMn2Cu
_chemical_formula_sum   'K2 Mn4 Cu2'
_cell_volume   119.2
_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  0.41  1.0
  Mn  Mn1  2  0.0  0.0  0.67  1.0
  Mn  Mn2  2  0.0  0.0  0.73  1.0
  Cu  Cu3  2  0.0  0.0  0.19  1.0

K Mn Mn Cu