data_[Rb16Pd16Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8539]
_cell_length_b [13.8920]
_cell_length_c [22.2003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [RbPdSe2]
_chemical_formula_sum '[Rb16 Pd16 Se32]'
_cell_volume [1805.3832]
_cell_formula_units_Z [16]
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
[
  Rb  Rb0  16  0.0000  0.0000  0.3095  1
  Pd  Pd1  8  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.0000  0.0000  0.5000  1
  Se  Se3  32  0.0117  0.1534  0.1815  1
]