data_[Li4Pa4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7430]
_cell_length_b [5.9808]
_cell_length_c [5.7490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiPaN2]
_chemical_formula_sum '[Li4 Pa4 N8]'
_cell_volume [191.7822]
_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
[
  Li  Li0  4  0.3322  0.1196  0.3479  1
  Pa  Pa1  4  0.2088  0.5682  0.3110  1
  N  N2  4  0.0520  0.2417  0.5174  1
  N  N3  4  0.4369  0.6395  0.6838  1
]