data_[Pr36Zn18N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1443]
_cell_length_b [12.1443]
_cell_length_c [13.0254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Zn6N]
_chemical_formula_sum '[Pr36 Zn18 N3]'
_cell_volume [1663.6722]
_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  0.0339  0.8511  0.8881  1.0
  Pr  Pr1  18  0.0376  0.1919  0.3847  1.0
  Zn  Zn2  18  0.0028  0.4034  0.2509  1.0
  N  N3  3  0.0000  0.0000  0.0000  1.0
]