data_[Ba4Ni4Ge4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  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 [12.3876]
_cell_length_b [4.1199]
_cell_length_c [7.5553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ni2Ge2N]
_chemical_formula_sum '[Ba4 Ni4 Ge4 N2]'
_cell_volume [308.6343]
_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  4  0.0563  0.5000  0.8005  1.0
  Ni  Ni1  4  0.1676  0.0000  0.2447  1.0
  Ge  Ge2  4  0.2090  0.0000  0.6016  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]