data_KSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   2.99
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   100.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbAu2
_chemical_formula_sum   'K1 Sb1 Au2'
_cell_volume   100.08
_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
  Sb  Sb3  1  0.85  0.0  0.0  1.0
  Au  Au0  1  0.39  0.67  0.4  1.0
  Au  Au1  1  0.39  0.33  0.4  1.0

data_KSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   100.94
_cell_angle_beta   103.08
_cell_angle_gamma   103.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbAu2
_chemical_formula_sum   'K1 Sb1 Au2'
_cell_volume   100.08
_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  K0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.85  0.0  1.0
  Au  Au2  1  0.4  0.39  0.33  1.0
  Au  Au3  1  0.4  0.39  0.67  1.0

K Sb Au Au