data_K2MnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MnAu
_chemical_formula_sum   'K2 Mn1 Au1'
_cell_volume   141.78
_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  0.27  1.0
  K  K2  1  0.88  0.88  0.25  1.0
  Mn  Mn3  1  0.0  0.0  0.05  1.0
  Au  Au0  1  0.88  0.88  0.61  1.0

data_K2MnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2MnAu
_chemical_formula_sum   'K4 Mn2 Au2'
_cell_volume   283.56
_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  0.27  1.0
  K  K1  2  0.38  0.5  0.25  1.0
  Mn  Mn2  2  0.0  0.0  0.05  1.0
  Au  Au3  2  0.38  0.5  0.61  1.0

K K Mn Au
K K Mn Au 0 1 - - o 0 2 o o o 0 3 - - o 1 2 + + o 1 3 o o o 3 3 + o o 3 3 o + o 