data_[Ce12Re4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [9.2861]
_cell_length_b [11.8386]
_cell_length_c [5.6317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3ReN6]
_chemical_formula_sum '[Ce12 Re4 N24]'
_cell_volume [619.1219]
_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
[
  Ce  Ce0  8  0.2012  0.1012  0.9683  1.0
  Ce  Ce1  4  0.0000  0.4005  0.9439  1.0
  Re  Re2  4  0.0000  0.1954  0.5181  1.0
  N  N3  8  0.1534  0.2596  0.6706  1.0
  N  N4  8  0.1584  0.4922  0.2116  1.0
  N  N5  4  0.0000  0.0503  0.6313  1.0
  N  N6  4  0.0000  0.2098  0.1912  1.0
]