data_[Cd24In12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2333]
_cell_length_b [17.4832]
_cell_length_c [5.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd6In3Sn]
_chemical_formula_sum '[Cd24 In12 Sn4]'
_cell_volume [1031.6283]
_cell_formula_units_Z [4]
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  8  0.1759  0.4465  0.8211  1.0
  Cd  Cd1  8  0.2463  0.2115  0.1469  1.0
  Cd  Cd2  4  0.0000  0.0558  0.2580  1.0
  Cd  Cd3  4  0.0000  0.3072  0.9327  1.0
  In  In4  8  0.1633  0.0941  0.7716  1.0
  In  In5  4  0.0000  0.4141  0.3697  1.0
  Sn  Sn6  4  0.0000  0.2191  0.4458  1.0
]