data_[La8Ta4Ti4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3698]
_cell_length_b [13.5547]
_cell_length_c [10.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2TaTiN5]
_chemical_formula_sum '[La8 Ta4 Ti4 N20]'
_cell_volume [496.4319]
_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  0.1054  0.6882  1.0
  La  La1  4  0.0000  0.1411  0.2909  1.0
  Ta  Ta2  4  0.0000  0.2184  0.0081  1.0
  Ti  Ti3  4  0.0000  0.4744  0.4613  1.0
  N  N4  4  0.0000  0.0564  0.0427  1.0
  N  N5  4  0.0000  0.2781  0.6461  1.0
  N  N6  4  0.0000  0.3105  0.3965  1.0
  N  N7  4  0.0000  0.3676  0.9988  1.0
  N  N8  4  0.0000  0.4967  0.7914  1.0
]