data_[Th4Fe2Ge2]
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 [P2_1/m]
_cell_length_a [5.9946]
_cell_length_b [3.9051]
_cell_length_c [8.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2FeGe]
_chemical_formula_sum '[Th4 Fe2 Ge2]'
_cell_volume [186.1602]
_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
[
  Th  Th0  2  0.2297  0.7500  0.4496  1
  Th  Th1  2  0.3123  0.2500  0.0994  1
  Fe  Fe2  2  0.3759  0.2500  0.7055  1
  Ge  Ge3  2  0.1501  0.7500  0.7931  1
]