data_[Pa20Si8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.3936]
_cell_length_b [7.5005]
_cell_length_c [7.5143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pa5(SiSe)2]
_chemical_formula_sum '[Pa20 Si8 Se8]'
_cell_volume [811.2397]
_cell_formula_units_Z [4]
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  16  0.1318  0.1744  0.3247  1
  Pa  Pa1  4  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.0000  0.1207  0.6215  1
  Se  Se3  8  0.2060  0.0000  0.0000  1
]