data_[Ac22Tl18Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.7627]
_cell_length_b [23.7280]
_cell_length_c [4.0097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ac11Tl9Ni4]
_chemical_formula_sum '[Ac22 Tl18 Ni8]'
_cell_volume [1499.6884]
_cell_formula_units_Z [2]
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  0.2474  0.3336  0.0000  1
  Ac  Ac1  4  0.0000  0.1634  0.0000  1
  Ac  Ac2  4  0.0000  0.3749  0.0000  1
  Ac  Ac3  4  0.1870  0.5000  0.0000  1
  Ac  Ac4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  8  0.1035  0.2631  0.5000  1
  Tl  Tl6  8  0.1486  0.0702  0.5000  1
  Tl  Tl7  2  0.0000  0.5000  0.5000  1
  Ni  Ni8  8  0.1516  0.4007  0.5000  1
]