data_[Ba2Fe4Ge2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [6.4671]
_cell_length_b [4.9163]
_cell_length_c [7.4630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaFe2GeN2]
_chemical_formula_sum '[Ba2 Fe4 Ge2 N4]'
_cell_volume [220.6444]
_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
[
  Ba  Ba0  2  0.3177  0.2500  0.6525  1
  Fe  Fe1  4  0.1368  0.5003  0.1911  1
  Ge  Ge2  2  0.2033  0.7500  0.9411  1
  N  N3  2  0.1177  0.7500  0.3486  1
  N  N4  2  0.3373  0.2500  0.2774  1
]