data_[Ba4Tb2W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  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 [10.9387]
_cell_length_b [6.2482]
_cell_length_c [7.2881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tb(WN3)2]
_chemical_formula_sum '[Ba4 Tb2 W4 N12]'
_cell_volume [419.6017]
_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  0.2109  0.5000  0.1829  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  W  W2  4  0.0426  0.0000  0.2153  1
  N  N3  8  0.0473  0.2444  0.7727  1
  N  N4  4  0.2432  0.0000  0.3734  1
]