data_[Ce4W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5616]
_cell_length_b [3.6631]
_cell_length_c [5.7925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeWN3]
_chemical_formula_sum '[Ce4 W4 N12]'
_cell_volume [296.5864]
_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
[
  Ce  Ce0  4  0.0902  0.5000  0.2748  1
  W  W1  4  0.1575  0.0000  0.8584  1
  N  N2  4  0.0269  0.0000  0.9210  1
  N  N3  4  0.1418  0.0000  0.5311  1
  N  N4  4  0.1936  0.5000  0.0141  1
]