data_K2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.99
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2IrRu
_chemical_formula_sum   'K2 Ir1 Ru1'
_cell_volume   111.99
_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  0.59  0.0  0.99  1.0
  K  K2  1  0.51  0.99  0.28  1.0
  Ir  Ir0  1  0.28  0.99  0.55  1.0
  Ru  Ru3  1  0.73  0.0  0.76  1.0

data_K2IrRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.86
_cell_length_b   3.99
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   91.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2IrRu
_chemical_formula_sum   'K2 Ir1 Ru1'
_cell_volume   111.99
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.51  0.5  0.28  1.0
  K  K1  1  0.59  0.5  0.99  1.0
  Ir  Ir2  1  0.28  0.5  0.55  1.0
  Ru  Ru3  1  0.73  0.5  0.76  1.0

K K Ir Ru
K K Ir Ru 0 1 o - + 0 0 + o o 0 3 o o o 1 2 o o o 1 1 + o o 2 3 - + o 2 3 o + o 2 2 + o o 3 3 + o o 