data_[Cs2Pd2Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2285]
_cell_length_b [7.3635]
_cell_length_c [10.0406]
_cell_angle_alpha [71.3781]
_cell_angle_beta [81.7937]
_cell_angle_gamma [88.6114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPdPb4]
_chemical_formula_sum '[Cs2 Pd2 Pb8]'
_cell_volume [431.8089]
_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
[
  Cs  Cs0  2  0.2902  0.7768  0.0036  1.0
  Pd  Pd1  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.0963  0.0886  0.6517  1.0
  Pb  Pb4  2  0.2143  0.4984  0.7375  1.0
  Pb  Pb5  2  0.2654  0.2822  0.3142  1.0
  Pb  Pb6  2  0.3944  0.7153  0.3972  1.0
]