data_[Hg2Te6Pd4]
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 [P-3m1]
_cell_length_a [8.0312]
_cell_length_b [8.0312]
_cell_length_c [5.4920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [HgTe3Pd2]
_chemical_formula_sum '[Hg2 Te6 Pd4]'
_cell_volume [306.7773]
_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
[
  Hg  Hg0  2  0.3333  0.6667  0.3201  1.0
  Te  Te1  6  0.1712  0.3423  0.7546  1.0
  Pd  Pd2  3  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
]