data_[Te1H6Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.0522]
_cell_length_b [8.0522]
_cell_length_c [2.9553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Te(H3Pd4)2]
_chemical_formula_sum '[Te1 H6 Pd8]'
_cell_volume [165.9407]
_cell_formula_units_Z [1]
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
[
  Te  Te0  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  6  0.0173  0.3427  0.6947  1.0
  H  H2  6  0.1547  0.7038  0.7917  1.0
  Pd  Pd3  2  0.3333  0.6667  0.1067  1.0
]