data_[Ce8Be4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1884]
_cell_length_b [13.4996]
_cell_length_c [9.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2BeWN5]
_chemical_formula_sum '[Ce8 Be4 W4 N20]'
_cell_volume [422.0789]
_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  0.0000  0.1178  0.6966  1
  Ce  Ce1  4  0.0000  0.1271  0.3218  1
  Be  Be2  4  0.0000  0.4582  0.4464  1
  W  W3  4  0.0000  0.1945  0.0161  1
  N  N4  4  0.0000  0.0454  0.0158  1
  N  N5  4  0.0000  0.3000  0.6577  1
  N  N6  4  0.0000  0.3090  0.3715  1
  N  N7  4  0.0000  0.3427  0.0139  1
  N  N8  4  0.0000  0.4978  0.7841  1
]