data_CdCo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.61
_cell_angle_alpha   103.88
_cell_angle_beta   103.88
_cell_angle_gamma   33.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ir
_chemical_formula_sum   'Cd1 Co2 Ir1'
_cell_volume   56.1
_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  0.43  0.0  0.43  1.0
  Co  Co1  1  0.15  0.0  0.05  1.0
  Co  Co2  1  0.44  0.0  0.16  1.0
  Ir  Ir3  1  0.88  0.0  0.05  1.0

data_CdCo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.61
_cell_length_c   4.75
_cell_angle_alpha   103.88
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2Ir
_chemical_formula_sum   'Cd1 Co2 Ir1'
_cell_volume   56.1
_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  0.43  0.43  1.0
  Co  Co1  1  0.0  0.05  0.15  1.0
  Co  Co2  1  0.0  0.16  0.44  1.0
  Ir  Ir3  1  0.0  0.05  0.88  1.0

Cd Co Co Ir
Cd Co Co Ir 0 2 o o o 1 3 - o o 1 2 o o o 