data_[Hg4Te4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2597]
_cell_length_b [6.0742]
_cell_length_c [9.6096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgTePd5]
_chemical_formula_sum '[Hg4 Te4 Pd20]'
_cell_volume [513.9735]
_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
[
  Hg  Hg0  4  0.2500  0.2500  0.5000  1.0
  Te  Te1  4  0.0000  0.3680  0.7500  1.0
  Pd  Pd2  8  0.1043  0.1592  0.9962  1.0
  Pd  Pd3  8  0.2358  0.0807  0.7636  1.0
  Pd  Pd4  4  0.0000  0.1953  0.2500  1.0
]