data_[Pa2Al2Si2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9456]
_cell_length_b [3.9456]
_cell_length_c [8.4271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PaAlSiN]
_chemical_formula_sum '[Pa2 Al2 Si2 N2]'
_cell_volume [131.1920]
_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
[
  Pa  Pa0  2  0.0000  0.5000  0.8585  1
  Al  Al1  2  0.0000  0.0000  0.5000  1
  Si  Si2  2  0.0000  0.5000  0.3101  1
  N  N3  2  0.0000  0.0000  0.0000  1
]