data_[Sb4Te20Pd12]
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 [13.9146]
_cell_length_b [8.8873]
_cell_length_c [8.9238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbTe5Pd3]
_chemical_formula_sum '[Sb4 Te20 Pd12]'
_cell_volume [982.2904]
_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
[
  Sb  Sb0  4  0.1398  0.0000  0.3392  1
  Te  Te1  8  0.1683  0.1913  0.6348  1
  Te  Te2  4  0.0000  0.3070  0.0000  1
  Te  Te3  4  0.0289  0.5000  0.3224  1
  Te  Te4  4  0.2039  0.0000  0.0086  1
  Pd  Pd5  4  0.1639  0.5000  0.6573  1
  Pd  Pd6  4  0.1712  0.5000  0.1648  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Pd  Pd8  2  0.0000  0.0000  0.5000  1
]