data_KIn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.77
_cell_angle_alpha   114.11
_cell_angle_beta   114.11
_cell_angle_gamma   30.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Au
_chemical_formula_sum   'K1 In2 Au1'
_cell_volume   114.2
_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  In1  1  0.88  0.0  0.65  1.0
  In  In2  1  0.34  0.0  0.58  1.0
  Au  Au0  1  0.11  0.0  0.61  1.0

data_KIn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.77
_cell_length_c   6.56
_cell_angle_alpha   114.11
_cell_angle_beta   105.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Au
_chemical_formula_sum   'K1 In2 Au1'
_cell_volume   114.2
_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  0.0  0.58  0.34  1.0
  In  In2  1  0.0  0.65  0.88  1.0
  Au  Au3  1  0.0  0.61  0.11  1.0

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