data_[Pa2Ag2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5824]
_cell_length_b [6.6580]
_cell_length_c [7.3924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PaAgSe4]
_chemical_formula_sum '[Pa2 Ag2 Se8]'
_cell_volume [322.5919]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1144  0.6435  0.8402  1
  Se  Se3  4  0.3975  0.1162  0.9015  1
]