data_[Ba2Ce2Zn2N6]
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
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7391]
_cell_length_b [3.6302]
_cell_length_c [7.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCeZnN3]
_chemical_formula_sum '[Ba2 Ce2 Zn2 N6]'
_cell_volume [219.2016]
_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  2  0.1812  0.7500  0.2150  1
  Ce  Ce1  2  0.3493  0.2500  0.8406  1
  Zn  Zn2  2  0.0975  0.7500  0.6036  1
  N  N3  2  0.1506  0.7500  0.8599  1
  N  N4  2  0.1692  0.2500  0.5202  1
  N  N5  2  0.4487  0.2500  0.1340  1
]