data_[Pr36Ag18N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2453]
_cell_length_b [12.2453]
_cell_length_c [13.1735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Ag6N]
_chemical_formula_sum '[Pr36 Ag18 N3]'
_cell_volume [1710.6964]
_cell_formula_units_Z [3]
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  18  0.0334  0.8511  0.8885  1.0
  Pr  Pr1  18  0.0368  0.1905  0.3832  1.0
  Ag  Ag2  18  0.0042  0.3988  0.2503  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
]