data_[Pr12Hg6N2]
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 [P2_1/c]
_cell_length_a [6.7533]
_cell_length_b [8.3511]
_cell_length_c [11.9788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Hg3N]
_chemical_formula_sum '[Pr12 Hg6 N2]'
_cell_volume [588.8603]
_cell_formula_units_Z [2]
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  4  0.0741  0.5505  0.7240  1.0
  Pr  Pr1  4  0.1819  0.2241  0.5634  1.0
  Pr  Pr2  4  0.3753  0.6456  0.5518  1.0
  Hg  Hg3  4  0.3188  0.6121  0.2359  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]