data_[Ce2Zn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5399]
_cell_length_b [5.4846]
_cell_length_c [6.6717]
_cell_angle_alpha [78.2554]
_cell_angle_beta [82.0894]
_cell_angle_gamma [89.0555]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeZnN3]
_chemical_formula_sum '[Ce2 Zn2 N6]'
_cell_volume [125.6060]
_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
[
  Ce  Ce0  2  0.3373  0.4543  0.7569  1.0
  Zn  Zn1  2  0.2032  0.0678  0.1660  1.0
  N  N2  2  0.1235  0.7546  0.4223  1.0
  N  N3  2  0.1497  0.2811  0.4301  1.0
  N  N4  2  0.2637  0.7536  0.9760  1.0
]