data_[Ac2Pa8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0877]
_cell_length_b [3.7520]
_cell_length_c [9.6781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(PaN2)4]
_chemical_formula_sum '[Ac2 Pa8 N16]'
_cell_volume [412.2985]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.1157  0.5000  0.4379  1
  Pa  Pa2  4  0.1656  0.0000  0.8000  1
  N  N3  4  0.0297  0.0000  0.2798  1
  N  N4  4  0.0928  0.5000  0.6546  1
  N  N5  4  0.1550  0.5000  1.0000  1
  N  N6  4  0.2232  0.0000  0.5969  1
]