data_[Tb9Re6N24]
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 [R-3m]
_cell_length_a [5.6740]
_cell_length_b [5.6740]
_cell_length_c [19.5006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3(ReN4)2]
_chemical_formula_sum '[Tb9 Re6 N24]'
_cell_volume [543.6977]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1955  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Re  Re2  6  0.0000  0.0000  0.4041  1.0
  N  N3  18  0.0174  0.5087  0.7689  1.0
  N  N4  6  0.0000  0.0000  0.3121  1.0
]