data_[Th24Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [12.3795]
_cell_length_b [12.3795]
_cell_length_c [6.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Th3Ge]
_chemical_formula_sum '[Th24 Ge8]'
_cell_volume [931.6843]
_cell_formula_units_Z [8]
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
[
  Th  Th0  8  0.0261  0.8630  0.7267  1
  Th  Th1  8  0.0839  0.3904  0.4754  1
  Th  Th2  8  0.1783  0.2840  0.9951  1
  Ge  Ge3  8  0.0415  0.7958  0.2185  1
]