data_[Sn4Te2Pd16]
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 [C2/m]
_cell_length_a [14.8136]
_cell_length_b [4.2757]
_cell_length_c [6.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn2TePd8]
_chemical_formula_sum '[Sn4 Te2 Pd16]'
_cell_volume [382.3468]
_cell_formula_units_Z [2]
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  4  0.1986  0.0000  0.6722  1.0
  Te  Te1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0282  0.0000  0.7457  1.0
  Pd  Pd3  4  0.0934  0.5000  0.4518  1.0
  Pd  Pd4  4  0.1688  0.5000  0.9268  1.0
  Pd  Pd5  4  0.1720  0.0000  0.2370  1.0
]