data_[Ce8Ti4Ge4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2415]
_cell_length_b [13.8544]
_cell_length_c [9.9771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TiGeN5]
_chemical_formula_sum '[Ce8 Ti4 Ge4 N20]'
_cell_volume [448.0688]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  4  0.0000  0.1175  0.6855  1.0
  Ce  Ce1  4  0.0000  0.1365  0.2994  1.0
  Ti  Ti2  4  0.0000  0.2175  0.0120  1.0
  Ge  Ge3  4  0.0000  0.4496  0.4541  1.0
  N  N4  4  0.0000  0.0489  0.0518  1.0
  N  N5  4  0.0000  0.2865  0.6539  1.0
  N  N6  4  0.0000  0.3158  0.3767  1.0
  N  N7  4  0.0000  0.3524  0.0048  1.0
  N  N8  4  0.0000  0.4945  0.7857  1.0
]