data_[Cd2Sn4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2654]
_cell_length_b [3.9918]
_cell_length_c [5.8894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdSn2Ir]
_chemical_formula_sum '[Cd2 Sn4 Ir2]'
_cell_volume [182.2065]
_cell_formula_units_Z [2]
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  2  0.2968  0.0000  0.1410  1
  Sn  Sn1  2  0.1742  0.5000  0.5031  1
  Sn  Sn2  2  0.4992  0.0000  0.8805  1
  Ir  Ir3  2  0.4958  0.5000  0.5780  1
]