data_[Cs2Pa2Au2Se8]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3240]
_cell_length_b [5.8392]
_cell_length_c [10.2819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPaAuSe4]
_chemical_formula_sum '[Cs2 Pa2 Au2 Se8]'
_cell_volume [416.2927]
_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  0.2300  0.2500  0.0485  1
  Pa  Pa1  2  0.2714  0.2500  0.5495  1
  Au  Au2  2  0.2592  0.7500  0.3079  1
  Se  Se3  4  0.0292  0.5128  0.6807  1
  Se  Se4  2  0.4317  0.7500  0.5801  1
  Se  Se5  2  0.4949  0.7500  0.1796  1
]