data_[Hg4Te12Pd8]
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/m]
_cell_length_a [14.0027]
_cell_length_b [8.1936]
_cell_length_c [6.5095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgTe3Pd2]
_chemical_formula_sum '[Hg4 Te12 Pd8]'
_cell_volume [680.2116]
_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  0.2238  0.5000  0.2863  1
  Te  Te1  8  0.0405  0.2550  0.7794  1
  Te  Te2  4  0.2112  0.0000  0.2205  1
  Pd  Pd3  4  0.2500  0.2500  0.0000  1
  Pd  Pd4  2  0.0000  0.0000  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]