data_BaCeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   12.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCeN2
_chemical_formula_sum   'Ba2 Ce2 N4'
_cell_volume   158.25
_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  1  0.88  0.09  0.65  1.0
  Ba  Ba1  1  0.0  0.18  0.22  1.0
  Ce  Ce2  1  0.0  0.0  0.43  1.0
  Ce  Ce3  1  0.0  0.0  0.0  1.0
  N  N4  1  0.0  0.18  0.82  1.0
  N  N5  1  0.0  0.18  0.48  1.0
  N  N6  1  0.88  0.09  0.38  1.0
  N  N7  1  0.88  0.09  0.05  1.0

data_BaCeN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   12.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCeN2
_chemical_formula_sum   'Ba2 Ce2 N4'
_cell_volume   158.25
_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  1  0.0  0.18  0.22  1.0
  Ba  Ba1  1  0.88  0.09  0.65  1.0
  Ce  Ce2  1  0.0  0.0  0.0  1.0
  Ce  Ce3  1  0.0  0.0  0.43  1.0
  N  N4  1  0.0  0.18  0.48  1.0
  N  N5  1  0.0  0.18  0.82  1.0
  N  N6  1  0.88  0.09  0.05  1.0
  N  N7  1  0.88  0.09  0.38  1.0

Ba Ba Ce Ce N N N N