data_[Ce8Mn4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mn  1.5500  1.4000  0.6483
  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 [3.2363]
_cell_length_b [13.4461]
_cell_length_c [10.0381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2MnWN5]
_chemical_formula_sum '[Ce8 Mn4 W4 N20]'
_cell_volume [436.8178]
_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  0.1161  0.6861  1.0
  Ce  Ce1  4  0.0000  0.1382  0.3148  1.0
  Mn  Mn2  4  0.0000  0.4496  0.4509  1.0
  W  W3  4  0.0000  0.1971  0.0137  1.0
  N  N4  4  0.0000  0.0396  0.0415  1.0
  N  N5  4  0.0000  0.2932  0.6551  1.0
  N  N6  4  0.0000  0.3164  0.3718  1.0
  N  N7  4  0.0000  0.3470  0.0050  1.0
  N  N8  4  0.0000  0.4977  0.7852  1.0
]