data_[Cd9In6Sn9]
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 [R32]
_cell_length_a [7.4980]
_cell_length_b [7.4980]
_cell_length_c [13.1615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Cd3In2Sn3]
_chemical_formula_sum '[Cd9 In6 Sn9]'
_cell_volume [640.8070]
_cell_formula_units_Z [3]
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  9  0.0000  0.7642  0.0000  1
  In  In1  6  0.0000  0.0000  0.7359  1
  Sn  Sn2  9  0.0000  0.2483  0.5000  1
]