data_[Li6La4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [17.8152]
_cell_length_b [10.0746]
_cell_length_c [5.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Li3La2N3]
_chemical_formula_sum '[Li6 La4 N6]'
_cell_volume [1065.6433]
_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
[
  Li  Li0  4  0.0294  0.6800  0.8111  1
  Li  Li1  2  0.0000  0.0000  0.1036  1
  La  La2  4  0.0790  0.1306  0.6536  1
  N  N3  4  0.0248  0.1834  0.9915  1
  N  N4  2  0.0000  0.0000  0.4575  1
]