data_[Na16Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.9999]
_cell_length_b [6.0806]
_cell_length_c [8.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na4ReN3]
_chemical_formula_sum '[Na16 Re4 N12]'
_cell_volume [541.4951]
_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
[
  Na  Na0  4  0.1048  0.3606  0.9568  1.0
  Na  Na1  4  0.1862  0.1902  0.6355  1.0
  Na  Na2  4  0.2961  0.3356  0.3612  1.0
  Na  Na3  4  0.3836  0.1779  0.0270  1.0
  Re  Re4  4  0.0104  0.1477  0.2499  1.0
  N  N5  4  0.0410  0.4181  0.1889  1.0
  N  N6  4  0.1603  0.0113  0.8672  1.0
  N  N7  4  0.3467  0.4838  0.6456  1.0
]