data_[Ba4Ce4N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [5.0136]
_cell_length_b [10.6377]
_cell_length_c [6.0863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [BaCeN2]
_chemical_formula_sum '[Ba4 Ce4 N8]'
_cell_volume [324.6067]
_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
[
  Ba  Ba0  4  0.2500  0.6297  0.2906  1.0
  Ce  Ce1  4  0.2500  0.1221  0.2952  1.0
  N  N2  4  0.2500  0.1717  0.6465  1.0
  N  N3  4  0.2500  0.5923  0.7691  1.0
]