data_KCd2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99
_cell_length_b   7.99
_cell_length_c   4.57
_cell_angle_alpha   106.44
_cell_angle_beta   106.44
_cell_angle_gamma   22.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Ir
_chemical_formula_sum   'K1 Cd2 Ir1'
_cell_volume   106.53
_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  0.41  0.0  0.53  1.0
  Cd  Cd0  1  0.86  0.0  0.36  1.0
  Cd  Cd1  1  0.59  0.0  0.91  1.0
  Ir  Ir2  1  0.35  0.0  0.14  1.0

data_KCd2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.57
_cell_length_c   7.99
_cell_angle_alpha   106.44
_cell_angle_beta   101.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Ir
_chemical_formula_sum   'K1 Cd2 Ir1'
_cell_volume   106.53
_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  0.53  0.41  1.0
  Cd  Cd1  1  0.0  0.36  0.86  1.0
  Cd  Cd2  1  0.0  0.91  0.59  1.0
  Ir  Ir3  1  0.0  0.14  0.35  1.0

K Cd Cd Ir