data_[La8C8N16O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5780]
_cell_length_b [6.2807]
_cell_length_c [6.1407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2C2N4O]
_chemical_formula_sum '[La8 C8 N16 O4]'
_cell_volume [506.4281]
_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
[
  La  La0  8  0.1003  0.2150  0.0755  1.0
  C  C1  8  0.1526  0.2738  0.6115  1.0
  N  N2  8  0.0922  0.3828  0.4690  1.0
  N  N3  8  0.2085  0.1587  0.7535  1.0
  O  O4  4  0.0000  0.0261  0.7500  1.0
]