data_[Sc16Cd2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1446]
_cell_length_b [13.8510]
_cell_length_c [5.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8CdSn2]
_chemical_formula_sum '[Sc16 Cd2 Sn4]'
_cell_volume [532.6893]
_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
[
  Sc  Sc0  8  0.2152  0.8861  0.1368  1
  Sc  Sc1  4  0.0000  0.2130  0.5000  1
  Sc  Sc2  4  0.0956  0.5000  0.3006  1
  Cd  Cd3  2  0.0000  0.0000  0.5000  1
  Sn  Sn4  4  0.0000  0.3044  0.0000  1
]