data_[Sc12Cd4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3223]
_cell_length_b [12.7856]
_cell_length_c [4.4369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc3CdO]
_chemical_formula_sum '[Sc12 Cd4 O4]'
_cell_volume [358.6569]
_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  4  0.0000  0.1302  0.5000  1.0
  Sc  Sc1  4  0.2395  0.0000  0.0000  1.0
  Sc  Sc2  4  0.2500  0.2500  0.0000  1.0
  Cd  Cd3  4  0.0000  0.3764  0.5000  1.0
  O  O4  4  0.0000  0.1310  0.0000  1.0
]