data_[K6Hf2Pa4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0579]
_cell_length_b [10.4958]
_cell_length_c [6.7487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Hf(PaN3)2]
_chemical_formula_sum '[K6 Hf2 Pa4 N12]'
_cell_volume [409.4880]
_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
[
  K  K0  4  0.0000  0.1626  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  Pa  Pa3  4  0.0000  0.3332  0.0000  1
  N  N4  8  0.2184  0.1636  0.1647  1
  N  N5  4  0.2275  0.5000  0.1641  1
]