data_[Ac96Sn24C40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.5684]
_cell_length_b [17.5684]
_cell_length_c [17.5684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac12Sn3C5]
_chemical_formula_sum '[Ac96 Sn24 C40]'
_cell_volume [5422.4787]
_cell_formula_units_Z [8]
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
[
  Ac  Ac0  96  0.0333  0.5528  0.3509  1
  Sn  Sn1  24  0.0000  0.2500  0.1250  1
  C  C2  24  0.0000  0.2500  0.3750  1
  C  C3  16  0.0000  0.0000  0.0000  1
]