data_[Pr12Au4N2]
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 [6.8184]
_cell_length_b [7.4021]
_cell_length_c [12.1910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Au2N]
_chemical_formula_sum '[Pr12 Au4 N2]'
_cell_volume [515.8315]
_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  0.1414  0.1849  0.4461  1.0
  Pr  Pr1  4  0.2701  0.7058  0.4460  1.0
  Pr  Pr2  4  0.3798  0.0259  0.2601  1.0
  Au  Au3  4  0.1965  0.0895  0.7499  1.0
  N  N4  2  0.5000  0.0000  0.5000  1.0
]