data_[Pr4Hf8Zr4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.6153]
_cell_length_b [6.7207]
_cell_length_c [9.4416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PrHf2ZrN4]
_chemical_formula_sum '[Pr4 Hf8 Zr4 N16]'
_cell_volume [419.7705]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.7500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0000  1.0
  Hf  Hf2  4  0.2500  0.2500  0.2500  1.0
  Zr  Zr3  4  0.0000  0.0000  0.5000  1.0
  N  N4  8  0.0000  0.0295  0.2449  1.0
  N  N5  8  0.2406  0.2500  0.0145  1.0
]