data_[Ba12Ge4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7074]
_cell_length_b [8.2164]
_cell_length_c [13.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Ge2N]
_chemical_formula_sum '[Ba12 Ge4 N2]'
_cell_volume [705.3790]
_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  0.1641  0.0302  0.2638  1.0
  Ba  Ba1  4  0.2635  0.6771  0.0547  1.0
  Ba  Ba2  4  0.3741  0.2075  0.0513  1.0
  Ge  Ge3  4  0.2765  0.0723  0.7533  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]