data_[Cs2Na2Pa2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7450]
_cell_length_b [4.3855]
_cell_length_c [10.3882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaPaSe3]
_chemical_formula_sum '[Cs2 Na2 Pa2 Se6]'
_cell_volume [420.4134]
_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
[
  Cs  Cs0  2  0.2297  0.7500  0.2624  1
  Na  Na1  2  0.0679  0.7500  0.6050  1
  Pa  Pa2  2  0.3292  0.2500  0.8558  1
  Se  Se3  2  0.1478  0.7500  0.8878  1
  Se  Se4  2  0.2325  0.2500  0.5704  1
  Se  Se5  2  0.4740  0.2500  0.1469  1
]