data_[Pa2As2Se4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8962]
_cell_length_b [3.8962]
_cell_length_c [13.3847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [PaAsSe2N]
_chemical_formula_sum '[Pa2 As2 Se4 N2]'
_cell_volume [203.1819]
_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  0.4095  1
  As  As1  2  0.0000  0.5000  0.9015  1
  Se  Se2  2  0.0000  0.5000  0.1018  1
  Se  Se3  2  0.0000  0.5000  0.6978  1
  N  N4  2  0.0000  0.0000  0.5000  1
]