data_CdAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Ir
_chemical_formula_sum   'Cd1 Ag2 Ir1'
_cell_volume   69.54
_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  Cd2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.41  0.15  0.25  1.0
  Ag  Ag1  1  0.41  0.15  0.48  1.0
  Ir  Ir3  1  0.0  0.0  0.87  1.0

data_CdAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Ir
_chemical_formula_sum   'Cd1 Ag2 Ir1'
_cell_volume   69.54
_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
  Ag  Ag1  1  0.41  0.15  0.25  1.0
  Ag  Ag2  1  0.41  0.15  0.48  1.0
  Ir  Ir3  1  0.0  0.0  0.87  1.0

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