data_[Ac10Tl2Ge8]
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 [I4]
_cell_length_a [10.2234]
_cell_length_b [10.2234]
_cell_length_c [6.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ac5TlGe4]
_chemical_formula_sum '[Ac10 Tl2 Ge8]'
_cell_volume [694.6037]
_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  0.1049  0.3197  0.0259  1
  Ac  Ac1  2  0.0000  0.0000  0.3930  1
  Tl  Tl2  2  0.0000  0.0000  0.8653  1
  Ge  Ge3  8  0.1085  0.2919  0.5319  1
]