data_KMnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   148.14
_cell_angle_beta   148.14
_cell_angle_gamma   45.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnAu
_chemical_formula_sum   'K1 Mn1 Au1'
_cell_volume   82.61
_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  0.14  1.0
  Mn  Mn2  1  0.0  0.0  0.84  1.0
  Au  Au0  1  0.0  0.0  0.63  1.0

data_KMnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   112.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KMnAu
_chemical_formula_sum   'K2 Mn2 Au2'
_cell_volume   165.23
_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  0.14  0.0  0.14  1.0
  Mn  Mn1  2  0.34  0.5  0.84  1.0
  Au  Au2  2  0.13  0.5  0.63  1.0

K Mn Au