data_[La8Ti4V4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3391]
_cell_length_b [14.2144]
_cell_length_c [10.4522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TiVN5]
_chemical_formula_sum '[La8 Ti4 V4 N20]'
_cell_volume [496.1038]
_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  0.1174  0.6774  1.0
  La  La1  4  0.0000  0.1345  0.3198  1.0
  Ti  Ti2  4  0.0000  0.2099  0.0296  1.0
  V  V3  4  0.0000  0.4434  0.4404  1.0
  N  N4  4  0.0000  0.0393  0.0203  1.0
  N  N5  4  0.0000  0.2923  0.6509  1.0
  N  N6  4  0.0000  0.3221  0.3862  1.0
  N  N7  4  0.0000  0.3398  0.0070  1.0
  N  N8  4  0.0000  0.4971  0.7924  1.0
]