data_[Sn2Te1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.5542]
_cell_length_b [7.5542]
_cell_length_c [3.2287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sn2TePd6]
_chemical_formula_sum '[Sn2 Te1 Pd6]'
_cell_volume [159.5619]
_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
[
  Sn  Sn0  2  0.3333  0.6667  0.0000  1.0
  Te  Te1  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  3  0.0000  0.3732  0.5000  1.0
  Pd  Pd3  3  0.0000  0.7043  0.0000  1.0
]