data_[Sc4Ti1Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2386]
_cell_length_b [3.2386]
_cell_length_c [16.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc4TiCd3]
_chemical_formula_sum '[Sc4 Ti1 Cd3]'
_cell_volume [173.6539]
_cell_formula_units_Z [1]
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  0.1195  1
  Sc  Sc1  2  0.0000  0.0000  0.3740  1
  Ti  Ti2  1  0.5000  0.5000  0.0000  1
  Cd  Cd3  2  0.5000  0.5000  0.2484  1
  Cd  Cd4  1  0.5000  0.5000  0.5000  1
]