data_KNbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   92.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbIr2
_chemical_formula_sum   'K1 Nb1 Ir2'
_cell_volume   83.4
_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  0.07  0.0  0.7  1.0
  Nb  Nb3  1  0.59  0.46  0.24  1.0
  Ir  Ir0  1  0.75  0.0  0.67  1.0
  Ir  Ir1  1  0.14  0.46  0.34  1.0

data_KNbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   92.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbIr2
_chemical_formula_sum   'K1 Nb1 Ir2'
_cell_volume   83.4
_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  0.07  0.0  0.7  1.0
  Nb  Nb1  1  0.59  0.46  0.24  1.0
  Ir  Ir2  1  0.14  0.46  0.34  1.0
  Ir  Ir3  1  0.75  0.0  0.67  1.0

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