data_KNbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.37
_cell_length_c   2.85
_cell_angle_alpha   83.93
_cell_angle_beta   76.7
_cell_angle_gamma   19.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbIr
_chemical_formula_sum   'K1 Nb1 Ir1'
_cell_volume   61.94
_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  0.37  0.76  1.0
  Nb  Nb2  1  0.59  0.37  0.9  1.0
  Ir  Ir0  1  0.59  0.37  0.23  1.0

data_KNbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   16.44
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   123.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNbIr
_chemical_formula_sum   'K2 Nb2 Ir2'
_cell_volume   123.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.37  0.0  0.65  1.0
  Nb  Nb1  2  0.37  0.0  0.51  1.0
  Ir  Ir2  2  0.37  0.0  0.18  1.0

K Nb Ir