data_[Sb4Te2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8258]
_cell_length_b [4.2803]
_cell_length_c [6.5518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2TePd8]
_chemical_formula_sum '[Sb4 Te2 Pd16]'
_cell_volume [386.5009]
_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
[
  Sb  Sb0  4  0.1888  0.0000  0.6743  1.0
  Te  Te1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0267  0.0000  0.7570  1.0
  Pd  Pd3  4  0.0939  0.5000  0.4496  1.0
  Pd  Pd4  4  0.1694  0.5000  0.9321  1.0
  Pd  Pd5  4  0.1798  0.0000  0.2596  1.0
]