data_[La6Sm4Nb2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1346]
_cell_length_b [10.6066]
_cell_length_c [6.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Sm2NbN6]
_chemical_formula_sum '[La6 Sm4 Nb2 N12]'
_cell_volume [381.2081]
_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  4  0.0000  0.1652  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3331  0.0000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2235  0.1501  0.2186  1.0
  N  N5  4  0.2280  0.0000  0.7736  1.0
]