data_KInAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   136.52
_cell_angle_beta   136.52
_cell_angle_gamma   63.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInAu2
_chemical_formula_sum   'K1 In1 Au2'
_cell_volume   100.43
_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  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.22  0.55  1.0
  Au  Au0  1  0.22  0.0  0.55  1.0
  Au  Au1  1  0.0  0.0  0.1  1.0

data_KInAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.99
_cell_angle_alpha   111.74
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInAu2
_chemical_formula_sum   'K1 In1 Au2'
_cell_volume   100.43
_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
  In  In1  1  0.67  0.22  0.67  1.0
  Au  Au2  1  0.45  0.0  0.67  1.0
  Au  Au3  1  0.9  0.0  0.9  1.0

K In Au Au