data_[Pr12Hg3N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.6954]
_cell_length_b [3.6954]
_cell_length_c [43.9066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr4HgN2]
_chemical_formula_sum '[Pr12 Hg3 N6]'
_cell_volume [519.2603]
_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  6  0.0000  0.0000  0.1239  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2735  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  N  N3  6  0.0000  0.0000  0.4261  1.0
]