data_[La2Sc1Al1Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P4/mmm]
_cell_length_a [5.5873]
_cell_length_b [5.5873]
_cell_length_c [5.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La2ScAlCd]
_chemical_formula_sum '[La2 Sc1 Al1 Cd1]'
_cell_volume [167.8516]
_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
[
  La  La0  2  0.0000  0.5000  0.0000  1
  Sc  Sc1  1  0.0000  0.0000  0.0000  1
  Al  Al2  1  0.5000  0.5000  0.5000  1
  Cd  Cd3  1  0.0000  0.0000  0.5000  1
]