data_[Ac4Tl4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9952]
_cell_length_b [4.9408]
_cell_length_c [12.6921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcTlGe2]
_chemical_formula_sum '[Ac4 Tl4 Ge8]'
_cell_volume [438.6655]
_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  4  0.1728  0.2500  0.1491  1
  Tl  Tl1  4  0.1574  0.2500  0.4488  1
  Ge  Ge2  4  0.0114  0.2500  0.6835  1
  Ge  Ge3  4  0.1498  0.2500  0.8695  1
]