data_KCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   136.44
_cell_angle_beta   136.44
_cell_angle_gamma   63.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdIr2
_chemical_formula_sum   'K1 Cd1 Ir2'
_cell_volume   76.7
_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
  Cd  Cd0  1  0.0  0.0  0.66  1.0
  Ir  Ir1  1  0.0  0.03  0.33  1.0
  Ir  Ir2  1  0.03  0.0  0.33  1.0

data_KCdIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   121.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCdIr2
_chemical_formula_sum   'K2 Cd2 Ir4'
_cell_volume   153.41
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.34  0.0  0.34  1.0
  Ir  Ir2  4  0.19  0.49  0.7  1.0

K Cd Ir Ir