data_[Li2Hf6Pa4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [14.3696]
_cell_length_b [3.2750]
_cell_length_c [6.7342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHf3(PaN3)2]
_chemical_formula_sum '[Li2 Hf6 Pa4 N12]'
_cell_volume [305.8555]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1
  Hf  Hf1  4  0.1597  0.0000  0.8310  1
  Hf  Hf2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  4  0.1622  0.0000  0.3262  1
  N  N4  4  0.0013  0.0000  0.7330  1
  N  N5  4  0.1598  0.5000  0.6028  1
  N  N6  4  0.1688  0.5000  0.0708  1
]