data_[Tb24Re16W24N96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Re  1.9000  1.3500  0.7125
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.7330]
_cell_length_b [12.7330]
_cell_length_c [12.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Tb3Re2(WN4)3]
_chemical_formula_sum '[Tb24 Re16 W24 N96]'
_cell_volume [2064.4082]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Re  Re1  16  0.0000  0.0000  0.0000  1
  W  W2  24  0.0000  0.2500  0.3750  1
  N  N3  96  0.0320  0.0514  0.6477  1
]