data_[Tb12Re4N24]
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 [Cmc2_1]
_cell_length_a [9.4500]
_cell_length_b [11.9234]
_cell_length_c [5.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3ReN6]
_chemical_formula_sum '[Tb12 Re4 N24]'
_cell_volume [599.1099]
_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
[
  Tb  Tb0  8  0.1920  0.1062  0.5254  1
  Tb  Tb1  4  0.0000  0.3956  0.5585  1
  Re  Re2  4  0.0000  0.1967  0.9798  1
  N  N3  8  0.1533  0.2616  0.8304  1
  N  N4  8  0.1598  0.4904  0.2898  1
  N  N5  4  0.0000  0.0526  0.8605  1
  N  N6  4  0.0000  0.2083  0.3245  1
]