data_[Ac12Tl12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5965]
_cell_length_b [4.9416]
_cell_length_c [16.3611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3Tl3Sn]
_chemical_formula_sum '[Ac12 Tl12 Sn4]'
_cell_volume [973.7153]
_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
[
  Ac  Ac0  4  0.0075  0.5000  0.3788  1
  Ac  Ac1  4  0.1108  0.5000  0.9267  1
  Ac  Ac2  4  0.2235  0.5000  0.2261  1
  Tl  Tl3  4  0.0065  0.0000  0.7765  1
  Tl  Tl4  4  0.1093  0.0000  0.0765  1
  Tl  Tl5  4  0.1453  0.0000  0.5414  1
  Sn  Sn6  4  0.2144  0.0000  0.3716  1
]