data_[Sn4Te8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1672]
_cell_length_b [14.1293]
_cell_length_c [9.8405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sn(TePd2)2]
_chemical_formula_sum '[Sn4 Te8 Pd16]'
_cell_volume [579.4016]
_cell_formula_units_Z [4]
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
[
  Sn  Sn0  4  0.0000  0.3349  0.2500  1
  Te  Te1  8  0.0000  0.1106  0.0859  1
  Pd  Pd2  8  0.0000  0.2453  0.6070  1
  Pd  Pd3  4  0.0000  0.0505  0.7500  1
  Pd  Pd4  4  0.0000  0.5000  0.0000  1
]