data_[Tb8Re8N24]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1909]
_cell_length_b [9.7388]
_cell_length_c [6.3336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbReN3]
_chemical_formula_sum '[Tb8 Re8 N24]'
_cell_volume [634.9496]
_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  4  0.0000  0.0944  0.7500  1.0
  Tb  Tb1  4  0.0000  0.2911  0.2500  1.0
  Re  Re2  8  0.2092  0.4142  0.7184  1.0
  N  N3  8  0.1131  0.1076  0.1622  1.0
  N  N4  8  0.1211  0.2531  0.6574  1.0
  N  N5  8  0.1531  0.4865  0.4186  1.0
]