data_[Sc12Cd3Ni3O24]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3637]
_cell_length_b [6.3637]
_cell_length_c [15.1723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc4CdNiO8]
_chemical_formula_sum '[Sc12 Cd3 Ni3 O24]'
_cell_volume [532.1124]
_cell_formula_units_Z [3]
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  9  0.1690  0.3381  0.8329  1.0
  Sc  Sc1  3  0.0000  0.0000  0.6231  1.0
  Cd  Cd2  3  0.0000  0.0000  0.3792  1.0
  Ni  Ni3  3  0.0000  0.0000  0.0004  1.0
  O  O4  9  0.0421  0.5211  0.7557  1.0
  O  O5  9  0.1748  0.3496  0.5794  1.0
  O  O6  3  0.0000  0.0000  0.2356  1.0
  O  O7  3  0.0000  0.0000  0.7576  1.0
]