data_[Hg4Te4Pd8]
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 [Pbcm]
_cell_length_a [8.4420]
_cell_length_b [7.0282]
_cell_length_c [5.7838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HgTePd2]
_chemical_formula_sum '[Hg4 Te4 Pd8]'
_cell_volume [343.1681]
_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  0.1145  0.6034  0.2500  1
  Te  Te1  4  0.3709  0.0776  0.2500  1
  Pd  Pd2  4  0.1441  0.2500  0.0000  1
  Pd  Pd3  4  0.3842  0.7500  0.0000  1
]