data_[Ac20Tl8Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.7903]
_cell_length_b [10.3335]
_cell_length_c [8.1664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac5Tl2Cu]
_chemical_formula_sum '[Ac20 Tl8 Cu4]'
_cell_volume [1163.7250]
_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  0.0799  0.0372  0.8203  1
  Ac  Ac1  4  0.0016  0.2500  0.4451  1
  Ac  Ac2  4  0.2027  0.7500  0.1265  1
  Ac  Ac3  4  0.2216  0.2500  0.1457  1
  Tl  Tl4  8  0.1621  0.5043  0.4066  1
  Cu  Cu5  4  0.0116  0.7500  0.9293  1
]