data_[Sc16Cd24In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5124]
_cell_length_b [9.7552]
_cell_length_c [16.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sc2Cd3In]
_chemical_formula_sum '[Sc16 Cd24 In8]'
_cell_volume [1068.7843]
_cell_formula_units_Z [8]
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  0.2496  0.0000  0.0000  1.0
  Sc  Sc1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  16  0.0000  0.2486  0.0826  1.0
  Cd  Cd3  8  0.0000  0.0000  0.1652  1.0
  In  In4  8  0.0000  0.0000  0.3339  1.0
]