data_[La8C4N12Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.6661]
_cell_length_b [13.4743]
_cell_length_c [3.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La2CN3Cl]
_chemical_formula_sum '[La8 C4 N12 Cl4]'
_cell_volume [515.6727]
_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  4  0.0000  0.3622  0.0000  1.0
  La  La1  4  0.2127  0.0000  0.5000  1.0
  C  C2  4  0.2500  0.2500  0.5000  1.0
  N  N3  8  0.1721  0.3227  0.5000  1.0
  N  N4  4  0.1557  0.5000  0.0000  1.0
  Cl  Cl5  4  0.0000  0.1219  0.0000  1.0
]