data_[Sc4Al4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2257]
_cell_length_b [4.3236]
_cell_length_c [13.3286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScAlCd]
_chemical_formula_sum '[Sc4 Al4 Cd4]'
_cell_volume [243.5172]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.1384  1.0
  Sc  Sc1  2  0.0000  0.0000  0.4561  1.0
  Al  Al2  2  0.5000  0.0000  0.3010  1.0
  Al  Al3  2  0.5000  0.0000  0.9629  1.0
  Cd  Cd4  2  0.0000  0.0000  0.7986  1.0
  Cd  Cd5  2  0.5000  0.0000  0.6273  1.0
]