data_[Ba8Ce6Ge2N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  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 [13.2672]
_cell_length_b [7.0512]
_cell_length_c [7.5059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Ce3GeN8]
_chemical_formula_sum '[Ba8 Ce6 Ge2 N16]'
_cell_volume [594.3208]
_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  0.2500  0.2500  0.0000  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Ba  Ba2  2  0.0000  0.5000  0.0000  1
  Ce  Ce3  4  0.2500  0.2500  0.5000  1
  Ce  Ce4  2  0.0000  0.5000  0.5000  1
  Ge  Ge5  2  0.0000  0.0000  0.5000  1
  N  N6  8  0.0139  0.2248  0.3194  1
  N  N7  4  0.2262  0.5000  0.6873  1
  N  N8  4  0.2298  0.5000  0.2780  1
]