data_[Th4Fe1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1370]
_cell_length_b [4.1983]
_cell_length_c [16.6407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Th4FeGe8]
_chemical_formula_sum '[Th4 Fe1 Ge8]'
_cell_volume [289.0261]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1077  1
  Th  Th1  1  0.0000  0.5000  0.6074  1
  Th  Th2  1  0.5000  0.0000  0.8938  1
  Th  Th3  1  0.5000  0.5000  0.3933  1
  Fe  Fe4  1  0.0000  0.0000  0.3108  1
  Ge  Ge5  1  0.0000  0.0000  0.4515  1
  Ge  Ge6  1  0.0000  0.0000  0.7508  1
  Ge  Ge7  1  0.0000  0.5000  0.2439  1
  Ge  Ge8  1  0.0000  0.5000  0.9498  1
  Ge  Ge9  1  0.5000  0.0000  0.2433  1
  Ge  Ge10  1  0.5000  0.0000  0.5487  1
  Ge  Ge11  1  0.5000  0.5000  0.0512  1
  Ge  Ge12  1  0.5000  0.5000  0.7507  1
]