data_[Pr12Re4N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [9.8555]
_cell_length_b [12.4513]
_cell_length_c [5.4983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3ReN6]
_chemical_formula_sum '[Pr12 Re4 N24]'
_cell_volume [674.7179]
_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
[
  Pr  Pr0  8  0.1930  0.1074  0.4743  1
  Pr  Pr1  4  0.0000  0.3935  0.4423  1
  Re  Re2  4  0.0000  0.1955  0.0205  1
  N  N3  8  0.1475  0.2587  0.1624  1
  N  N4  8  0.1589  0.4919  0.7128  1
  N  N5  4  0.0000  0.0577  0.1378  1
  N  N6  4  0.0000  0.2064  0.6859  1
]