data_[Li2Pa2Nb2N6]
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 [P2_1/m]
_cell_length_a [5.7435]
_cell_length_b [3.3334]
_cell_length_c [8.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPaNbN3]
_chemical_formula_sum '[Li2 Pa2 Nb2 N6]'
_cell_volume [150.8527]
_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  0.3558  0.2500  0.0671  1
  Pa  Pa1  2  0.0064  0.7500  0.7223  1
  Nb  Nb2  2  0.4645  0.2500  0.6330  1
  N  N3  2  0.2001  0.7500  0.1790  1
  N  N4  2  0.2397  0.7500  0.5168  1
  N  N5  2  0.2882  0.2500  0.8158  1
]