data_[Pr4Hf4Zr8N16]
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 [6.6694]
_cell_length_b [6.7319]
_cell_length_c [9.4818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PrHfZr2N4]
_chemical_formula_sum '[Pr4 Hf4 Zr8 N16]'
_cell_volume [425.7077]
_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
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Zr  Zr2  4  0.0000  0.0000  0.5000  1
  Zr  Zr3  4  0.2500  0.2500  0.2500  1
  N  N4  8  0.0000  0.0242  0.2442  1
  N  N5  8  0.2396  0.2500  0.0114  1
]