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 [Cm]
_cell_length_a [8.4647]
_cell_length_b [8.2000]
_cell_length_c [3.8078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaWN3]
_chemical_formula_sum '[La4 W4 N12]'
_cell_volume [261.4419]
_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  0.3441  0.2599  0.3922  1
  W  W1  2  0.0955  0.5000  0.8725  1
  W  W2  2  0.1250  0.0000  0.7901  1
  N  N3  4  0.1205  0.2502  0.8344  1
  N  N4  2  0.0338  0.0000  0.2629  1
  N  N5  2  0.1698  0.5000  0.3871  1
  N  N6  2  0.3673  0.0000  0.8224  1
  N  N7  2  0.4033  0.5000  0.9800  1
]