data_[Pa2Pd4Pb4Se8]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7983]
_cell_length_b [4.0597]
_cell_length_c [7.7026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaPd2(PbSe2)2]
_chemical_formula_sum '[Pa2 Pd4 Pb4 Se8]'
_cell_volume [456.0625]
_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
  Pd  Pd1  4  0.1742  0.5000  0.9863  1
  Pb  Pb2  4  0.1554  0.0000  0.6762  1
  Se  Se3  4  0.0076  0.5000  0.7456  1
  Se  Se4  4  0.1878  0.0000  0.2263  1
]