data_[Cs2Pa2H2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4811]
_cell_length_b [3.9666]
_cell_length_c [10.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPaHSe3]
_chemical_formula_sum '[Cs2 Pa2 H2 Se6]'
_cell_volume [377.5519]
_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  0.1621  0.7500  0.2767  1
  Pa  Pa1  2  0.3325  0.2500  0.8590  1
  H  H2  2  0.2485  0.7500  0.6097  1
  Se  Se3  2  0.1427  0.7500  0.9086  1
  Se  Se4  2  0.2390  0.2500  0.5867  1
  Se  Se5  2  0.4485  0.2500  0.1445  1
]