data_[Na2Pa1Pb1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4182]
_cell_length_b [9.4241]
_cell_length_c [7.8531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2PaPbI8]
_chemical_formula_sum '[Na2 Pa1 Pb1 I8]'
_cell_volume [547.3495]
_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
[
  Na  Na0  2  0.5000  0.2602  0.5000  1
  Pa  Pa1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  I  I3  4  0.2276  0.2311  0.8492  1
  I  I4  2  0.2547  0.0000  0.3232  1
  I  I5  2  0.2589  0.5000  0.3414  1
]