data_[Ge2Te4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [14.3755]
_cell_length_b [4.3241]
_cell_length_c [6.6528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge(TePd4)2]
_chemical_formula_sum '[Ge2 Te4 Pd16]'
_cell_volume [376.4445]
_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
[
  Ge  Ge0  2  0.0000  0.5000  0.0000  1.0
  Te  Te1  4  0.1724  0.0000  0.6673  1.0
  Pd  Pd2  4  0.0294  0.0000  0.8232  1.0
  Pd  Pd3  4  0.0835  0.5000  0.4270  1.0
  Pd  Pd4  4  0.1678  0.5000  0.9419  1.0
  Pd  Pd5  4  0.1882  0.0000  0.2792  1.0
]