data_NaCd2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.67
_cell_angle_alpha   97.4
_cell_angle_beta   97.4
_cell_angle_gamma   33.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Ir
_chemical_formula_sum   'Na1 Cd2 Ir1'
_cell_volume   78.54
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.72  0.0  0.1  1.0
  Cd  Cd1  1  0.14  0.0  0.52  1.0
  Ir  Ir2  1  0.43  0.0  0.81  1.0

data_NaCd2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.03
_cell_length_c   5.67
_cell_angle_alpha   97.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Ir
_chemical_formula_sum   'Na1 Cd2 Ir1'
_cell_volume   78.54
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.28  0.9  1.0
  Cd  Cd2  1  0.0  0.86  0.48  1.0
  Ir  Ir3  1  0.0  0.57  0.19  1.0

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