data_CdBiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.28
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   37.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiIr2
_chemical_formula_sum   'Cd1 Bi1 Ir2'
_cell_volume   74.81
_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
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.11  0.0  0.6  1.0
  Ir  Ir2  1  0.63  0.0  0.27  1.0
  Ir  Ir3  1  0.59  0.0  0.93  1.0

data_CdBiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.85
_cell_length_c   5.28
_cell_angle_alpha   99.95
_cell_angle_beta   90.0
_cell_angle_gamma   108.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiIr2
_chemical_formula_sum   'Cd1 Bi1 Ir2'
_cell_volume   74.81
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.89  0.4  1.0
  Ir  Ir2  1  0.0  0.37  0.73  1.0
  Ir  Ir3  1  0.0  0.41  0.07  1.0

Cd Bi Ir Ir