data_[Pa4Ag4Sn8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1803]
_cell_length_b [18.2556]
_cell_length_c [13.8590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PaAgSn2Se5]
_chemical_formula_sum '[Pa4 Ag4 Sn8 Se20]'
_cell_volume [1057.6312]
_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  4  0.0000  0.2151  0.0319  1
  Ag  Ag1  4  0.0000  0.4258  0.4498  1
  Sn  Sn2  4  0.0000  0.0896  0.2776  1
  Sn  Sn3  4  0.0000  0.1064  0.6403  1
  Se  Se4  4  0.0000  0.0651  0.0704  1
  Se  Se5  4  0.0000  0.2649  0.6681  1
  Se  Se6  4  0.0000  0.2840  0.3994  1
  Se  Se7  4  0.0000  0.3675  0.0071  1
  Se  Se8  4  0.0000  0.4890  0.2794  1
]