data_KAlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.59
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlAu2
_chemical_formula_sum   'K1 Al1 Au2'
_cell_volume   88.25
_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  K3  1  0.96  0.0  0.1  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.48  0.8  0.49  1.0
  Au  Au2  1  0.43  0.8  0.71  1.0

data_KAlAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.59
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlAu2
_chemical_formula_sum   'K1 Al1 Au2'
_cell_volume   88.25
_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  0.96  0.0  0.1  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.43  0.8  0.71  1.0
  Au  Au3  1  0.48  0.8  0.49  1.0

K Al Au Au