data_[La4Ta4N10]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4502]
_cell_length_b [4.2666]
_cell_length_c [5.8374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ta2N5]
_chemical_formula_sum '[La4 Ta4 N10]'
_cell_volume [265.9117]
_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  0.1061  0.5000  0.3339  1.0
  Ta  Ta1  4  0.1559  0.0000  0.8891  1.0
  N  N2  4  0.1528  0.5000  0.9095  1.0
  N  N3  4  0.1619  0.0000  0.5648  1.0
  N  N4  2  0.0000  0.0000  0.0000  1.0
]