data_CdSn2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSn2Ir
_chemical_formula_sum   'Cd1 Sn2 Ir1'
_cell_volume   87.78
_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  0.73  1.0
  Sn  Sn2  1  0.0  0.0  0.2  1.0
  Sn  Sn3  1  0.59  0.59  0.26  1.0
  Ir  Ir1  1  0.59  0.59  0.59  1.0

data_CdSn2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSn2Ir
_chemical_formula_sum   'Cd2 Sn4 Ir2'
_cell_volume   175.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.73  1.0
  Sn  Sn1  2  0.0  0.0  0.2  1.0
  Sn  Sn2  2  0.09  0.5  0.26  1.0
  Ir  Ir3  2  0.09  0.5  0.59  1.0

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