data_ZrCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.09
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   37.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdIr2
_chemical_formula_sum   'Zr1 Cd1 Ir2'
_cell_volume   70.41
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.99  0.0  0.47  1.0
  Ir  Ir1  1  0.53  0.0  0.22  1.0
  Ir  Ir2  1  0.45  0.0  0.72  1.0

data_ZrCdIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.84
_cell_length_c   5.09
_cell_angle_alpha   102.91
_cell_angle_beta   90.0
_cell_angle_gamma   108.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdIr2
_chemical_formula_sum   'Zr1 Cd1 Ir2'
_cell_volume   70.41
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.01  0.53  1.0
  Ir  Ir2  1  0.0  0.47  0.78  1.0
  Ir  Ir3  1  0.0  0.55  0.28  1.0

Zr Cd Ir Ir