data_[Tb2W2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmc2_1]
_cell_length_a [3.6063]
_cell_length_b [6.0075]
_cell_length_c [6.1323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TbWN3]
_chemical_formula_sum '[Tb2 W2 N6]'
_cell_volume [132.8539]
_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
[
  Tb  Tb0  2  0.0000  0.1534  0.2888  1.0
  W  W1  2  0.5000  0.3090  0.8189  1.0
  N  N2  2  0.0000  0.2292  0.9161  1.0
  N  N3  2  0.5000  0.1042  0.5872  1.0
  N  N4  2  0.5000  0.4154  0.1936  1.0
]