data_[Li2Pa2Nb2N8]
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
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7650]
_cell_length_b [3.7650]
_cell_length_c [12.7931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiPaNbN4]
_chemical_formula_sum '[Li2 Pa2 Nb2 N8]'
_cell_volume [181.3473]
_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  0.0000  0.6712  1
  Pa  Pa1  2  0.0000  0.0000  0.3568  1
  Nb  Nb2  2  0.0000  0.0000  0.0303  1
  N  N3  4  0.0000  0.5000  0.4709  1
  N  N4  2  0.0000  0.0000  0.1804  1
  N  N5  2  0.0000  0.0000  0.8195  1
]