data_[Sb2Te2Pd6]
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 [Pmc2_1]
_cell_length_a [4.3406]
_cell_length_b [7.7272]
_cell_length_c [6.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SbTePd3]
_chemical_formula_sum '[Sb2 Te2 Pd6]'
_cell_volume [217.6768]
_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  2  0.0000  0.3580  0.3302  1.0
  Te  Te1  2  0.5000  0.1361  0.7908  1.0
  Pd  Pd2  2  0.0000  0.3086  0.9140  1.0
  Pd  Pd3  2  0.5000  0.2006  0.1943  1.0
  Pd  Pd4  2  0.5000  0.4364  0.5753  1.0
]