data_[Rb8Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2721]
_cell_length_b [6.4940]
_cell_length_c [8.5298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2ReN3]
_chemical_formula_sum '[Rb8 Re4 N12]'
_cell_volume [549.0332]
_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
[
  Rb  Rb0  4  0.0616  0.5000  0.3371  1
  Rb  Rb1  4  0.1836  0.0000  0.7927  1
  Re  Re2  4  0.1207  0.0000  0.1829  1
  N  N3  4  0.0000  0.2091  0.0000  1
  N  N4  4  0.1321  0.0000  0.4000  1
  N  N5  4  0.2162  0.5000  0.7657  1
]