data_[Th4Fe4Ge4N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0852]
_cell_length_b [3.9793]
_cell_length_c [7.1017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2Fe2Ge2N]
_chemical_formula_sum '[Th4 Fe4 Ge4 N2]'
_cell_volume [243.3708]
_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  4  0.0528  0.5000  0.2868  1
  Fe  Fe1  4  0.1862  0.0000  0.0667  1
  Ge  Ge2  4  0.1720  0.0000  0.7129  1
  N  N3  2  0.0000  0.0000  0.0000  1
]