data_[Ce2Cu4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.3092]
_cell_length_b [4.9044]
_cell_length_c [17.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce(CuN)2]
_chemical_formula_sum '[Ce2 Cu4 N4]'
_cell_volume [468.5234]
_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
[
  Ce  Ce0  2  0.3110  0.0000  0.5825  1
  Cu  Cu1  4  0.0762  0.2496  0.4324  1
  N  N2  2  0.3264  0.0000  0.4540  1
  N  N3  2  0.4105  0.5000  0.5987  1
]