data_CdAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   149.29
_cell_angle_beta   130.18
_cell_angle_gamma   59.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Ir
_chemical_formula_sum   'Cd1 Ag2 Ir1'
_cell_volume   70.29
_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  0.5  0.0  0.54  1.0
  Ag  Ag1  1  0.0  0.39  0.37  1.0
  Ir  Ir3  1  0.0  0.0  0.91  1.0

data_CdAg2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.77
_cell_length_c   5.66
_cell_angle_alpha   114.91
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Ir
_chemical_formula_sum   'Cd1 Ag2 Ir1'
_cell_volume   70.29
_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  0.0  0.54  0.04  1.0
  Ag  Ag2  1  0.61  0.99  0.99  1.0
  Ir  Ir3  1  0.0  0.91  0.91  1.0

Cd Ag Ag Ir