data_[Ce8Zr4Ge4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  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 [3.2981]
_cell_length_b [13.9141]
_cell_length_c [10.4144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2ZrGeN5]
_chemical_formula_sum '[Ce8 Zr4 Ge4 N20]'
_cell_volume [477.9209]
_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  0.1227  0.7078  1.0
  Ce  Ce1  4  0.0000  0.1353  0.2833  1.0
  Zr  Zr2  4  0.0000  0.2186  0.0015  1.0
  Ge  Ge3  4  0.0000  0.4954  0.4747  1.0
  N  N4  4  0.0000  0.0529  0.0446  1.0
  N  N5  4  0.0000  0.2871  0.6499  1.0
  N  N6  4  0.0000  0.2981  0.3578  1.0
  N  N7  4  0.0000  0.3706  0.0117  1.0
  N  N8  4  0.0000  0.4980  0.7928  1.0
]