data_[Ac10Tm2Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9881]
_cell_length_b [9.9881]
_cell_length_c [9.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ac5TmTl8]
_chemical_formula_sum '[Ac10 Tm2 Tl16]'
_cell_volume [967.5253]
_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  0.1111  0.2369  0.8678  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  2  0.0000  0.5000  0.2500  1
  Tl  Tl3  8  0.0693  0.3400  0.5251  1
  Tl  Tl4  8  0.0901  0.1971  0.2147  1
]