data_[Rb8Re8N16]
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 [Pbcm]
_cell_length_a [8.1065]
_cell_length_b [6.2450]
_cell_length_c [12.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [RbReN2]
_chemical_formula_sum '[Rb8 Re8 N16]'
_cell_volume [625.5653]
_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
[
  Rb  Rb0  4  0.1303  0.7500  0.0000  1
  Rb  Rb1  4  0.3846  0.6035  0.2500  1
  Re  Re2  4  0.1172  0.1553  0.2500  1
  Re  Re3  4  0.3708  0.2500  0.0000  1
  N  N4  8  0.2371  0.2100  0.1237  1
  N  N5  4  0.0533  0.6378  0.7500  1
  N  N6  4  0.5000  0.0000  0.0000  1
]