data_[Ac2Nd1Pa1N5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2500]
_cell_length_b [4.2500]
_cell_length_c [9.3507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac2NdPaN5]
_chemical_formula_sum '[Ac2 Nd1 Pa1 N5]'
_cell_volume [168.8960]
_cell_formula_units_Z [1]
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
[
  Ac  Ac0  2  0.5000  0.5000  0.2744  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.0000  0.0000  0.5000  1
  N  N3  2  0.0000  0.0000  0.2502  1
  N  N4  2  0.0000  0.5000  0.5000  1
  N  N5  1  0.5000  0.5000  0.0000  1
]