data_[Sc2Al1Cd1]
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 [P2/m]
_cell_length_a [5.0793]
_cell_length_b [3.2891]
_cell_length_c [5.7100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc2AlCd]
_chemical_formula_sum '[Sc2 Al1 Cd1]'
_cell_volume [88.4729]
_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  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  1  0.0000  0.5000  0.5000  1
  Al  Al2  1  0.5000  0.5000  0.0000  1
  Cd  Cd3  1  0.5000  0.0000  0.5000  1
]