data_[Hg4Te8Pd8]
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 [Cc]
_cell_length_a [12.1253]
_cell_length_b [7.0750]
_cell_length_c [6.9333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Hg(TePd)2]
_chemical_formula_sum '[Hg4 Te8 Pd8]'
_cell_volume [488.5220]
_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  0.1723  0.4467  0.7725  1
  Te  Te1  4  0.3413  0.0954  0.2587  1
  Te  Te2  4  0.4865  0.4207  0.7296  1
  Pd  Pd3  4  0.0890  0.2286  0.0084  1
  Pd  Pd4  4  0.4109  0.2370  0.9808  1
]