data_[Ba4Nd4W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8109]
_cell_length_b [4.0317]
_cell_length_c [7.6938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNdWN3]
_chemical_formula_sum '[Ba4 Nd4 W4 N12]'
_cell_volume [412.8343]
_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
[
  Ba  Ba0  4  0.1398  0.5000  0.0713  1
  Nd  Nd1  4  0.1586  0.5000  0.5741  1
  W  W2  4  0.0008  0.0000  0.6851  1
  N  N3  4  0.0044  0.5000  0.2978  1
  N  N4  4  0.1443  0.0000  0.7959  1
  N  N5  4  0.1549  0.0000  0.3568  1
]