data_[Ac12Tl12Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9502]
_cell_length_b [11.8988]
_cell_length_c [16.4838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3Tl3Zn2]
_chemical_formula_sum '[Ac12 Tl12 Zn8]'
_cell_volume [970.9257]
_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  8  0.0000  0.0928  0.6072  1
  Ac  Ac1  4  0.0000  0.3694  0.7500  1
  Tl  Tl2  8  0.0000  0.3756  0.5372  1
  Tl  Tl3  4  0.0000  0.3398  0.2500  1
  Zn  Zn4  8  0.0000  0.2030  0.1038  1
]