data_[La4W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9711]
_cell_length_b [7.8794]
_cell_length_c [8.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaWN3]
_chemical_formula_sum '[La4 W4 N12]'
_cell_volume [268.4714]
_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  2  0.5000  0.0000  0.3754  1.0
  La  La1  2  0.5000  0.0000  0.8954  1.0
  W  W2  4  0.0000  0.2429  0.6495  1.0
  N  N3  4  0.0000  0.2121  0.4391  1.0
  N  N4  4  0.5000  0.2455  0.6926  1.0
  N  N5  2  0.0000  0.0000  0.1566  1.0
  N  N6  2  0.0000  0.0000  0.7269  1.0
]