data_[La8Nb4Sn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3793]
_cell_length_b [14.2660]
_cell_length_c [10.8682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2NbSnN5]
_chemical_formula_sum '[La8 Nb4 Sn4 N20]'
_cell_volume [523.9518]
_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  0.1147  0.7029  1.0
  La  La1  4  0.0000  0.1358  0.2794  1.0
  Nb  Nb2  4  0.0000  0.2278  0.0033  1.0
  Sn  Sn3  4  0.0000  0.4789  0.4695  1.0
  N  N4  4  0.0000  0.0626  0.0594  1.0
  N  N5  4  0.0000  0.2788  0.6406  1.0
  N  N6  4  0.0000  0.3001  0.3846  1.0
  N  N7  4  0.0000  0.3643  0.0020  1.0
  N  N8  4  0.0000  0.4991  0.7823  1.0
]