data_[Pr12Au6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7936]
_cell_length_b [7.8119]
_cell_length_c [12.5072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Au3N]
_chemical_formula_sum '[Pr12 Au6 N2]'
_cell_volume [560.8527]
_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  0.0802  0.5434  0.7273  1.0
  Pr  Pr1  4  0.2093  0.2130  0.5663  1.0
  Pr  Pr2  4  0.3708  0.6582  0.5602  1.0
  Au  Au3  4  0.3055  0.6061  0.2395  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
  N  N5  2  0.0000  0.0000  0.0000  1.0
]