data_[Pa2Pd2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.7772]
_cell_length_b [4.0123]
_cell_length_c [18.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PaPdSe4]
_chemical_formula_sum '[Pa2 Pd2 Se8]'
_cell_volume [948.2528]
_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  0.1492  0.7500  0.4974  1
  Pd  Pd1  2  0.3679  0.2500  0.5026  1
  Se  Se2  2  0.0470  0.2500  0.5806  1
  Se  Se3  2  0.2214  0.2500  0.4055  1
  Se  Se4  2  0.3144  0.7500  0.5886  1
  Se  Se5  2  0.4546  0.7500  0.4363  1
]