data_[Pr1Pu2Hf1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9415]
_cell_length_b [3.4325]
_cell_length_c [6.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrPu2HfN4]
_chemical_formula_sum '[Pr1 Pu2 Hf1 N4]'
_cell_volume [116.5043]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Pu  Pu1  1  0.5000  0.0000  0.5000  1
  Pu  Pu2  1  0.5000  0.5000  0.0000  1
  Hf  Hf3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2368  0.5000  0.2209  1
  N  N5  2  0.2549  0.0000  0.7891  1
]