data_[Sr4Th4Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [8.5947]
_cell_length_b [8.5947]
_cell_length_c [8.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [SrThCd4]
_chemical_formula_sum '[Sr4 Th4 Cd16]'
_cell_volume [634.8862]
_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
[
  Sr  Sr0  4  0.2500  0.2500  0.7500  1
  Th  Th1  4  0.0000  0.0000  0.0000  1
  Cd  Cd2  16  0.1256  0.1256  0.3744  1
]