data_[Ac3Nd2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6776]
_cell_length_b [5.6776]
_cell_length_c [10.9848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ac3(NdTl2)2]
_chemical_formula_sum '[Ac3 Nd2 Tl4]'
_cell_volume [306.6530]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.4182  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Nd  Nd2  2  0.3333  0.6667  0.7857  1
  Tl  Tl3  2  0.0000  0.0000  0.3379  1
  Tl  Tl4  2  0.3333  0.6667  0.1036  1
]