data_[La12C2N6O4]
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/m]
_cell_length_a [6.4691]
_cell_length_b [11.2181]
_cell_length_c [6.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CN3O2]
_chemical_formula_sum '[La12 C2 N6 O4]'
_cell_volume [444.4906]
_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
[
  La  La0  8  0.2491  0.3338  0.7453  1.0
  La  La1  4  0.2474  0.0000  0.7447  1.0
  C  C2  2  0.0000  0.0000  0.0000  1.0
  N  N3  4  0.0000  0.1631  0.5000  1.0
  N  N4  2  0.0000  0.5000  0.5000  1.0
  O  O5  4  0.0000  0.3322  0.0000  1.0
]