data_[Ac8Mg2Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7996]
_cell_length_b [5.7996]
_cell_length_c [16.7394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac4MgTl3]
_chemical_formula_sum '[Ac8 Mg2 Tl6]'
_cell_volume [563.0331]
_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  0.0000  0.5000  0.1249  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.0000  0.0000  0.2467  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
]