data_[Sb2Te10Pd8]
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 [17.3658]
_cell_length_b [3.9986]
_cell_length_c [7.7406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbTe5Pd4]
_chemical_formula_sum '[Sb2 Te10 Pd8]'
_cell_volume [517.4954]
_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  0.5000  0.0000  1
  Te  Te1  4  0.1576  0.0000  0.8665  1
  Te  Te2  4  0.1643  0.0000  0.3300  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Pd  Pd4  4  0.0045  0.0000  0.2567  1
  Pd  Pd5  4  0.1689  0.5000  0.1034  1
]