data_[La4Pa8Ni4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5657]
_cell_length_b [6.5657]
_cell_length_c [11.2591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LaPa2NiN5]
_chemical_formula_sum '[La4 Pa8 Ni4 N20]'
_cell_volume [485.3585]
_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
[
  La  La0  4  0.0000  0.0000  0.2500  1
  Pa  Pa1  8  0.1731  0.3269  0.0000  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
  N  N3  16  0.1490  0.3510  0.6303  1
  N  N4  4  0.0000  0.0000  0.0000  1
]