data_[Ba4La2W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pmn2_1]
_cell_length_a [7.8711]
_cell_length_b [7.4718]
_cell_length_c [5.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ba2LaWN4]
_chemical_formula_sum '[Ba4 La2 W2 N8]'
_cell_volume [350.0595]
_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
[
  Ba  Ba0  4  0.2494  0.3436  0.0292  1.0
  La  La1  2  0.0000  0.1411  0.5152  1.0
  W  W2  2  0.0000  0.8466  0.9967  1.0
  N  N3  4  0.2047  0.7236  0.0689  1.0
  N  N4  2  0.0000  0.0852  0.1116  1.0
  N  N5  2  0.0000  0.8626  0.6803  1.0
]