data_[Ce6Mg12N15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.5414]
_cell_length_b [3.5414]
_cell_length_c [43.8836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce2Mg4N5]
_chemical_formula_sum '[Ce6 Mg12 N15]'
_cell_volume [476.6261]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1326  1
  Mg  Mg1  6  0.0000  0.0000  0.3120  1
  Mg  Mg2  6  0.0000  0.0000  0.4081  1
  N  N3  6  0.0000  0.0000  0.2311  1
  N  N4  6  0.0000  0.0000  0.3629  1
  N  N5  3  -0.0000  -0.0000  0.5000  1
]