data_[Te16Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5147]
_cell_length_b [14.0878]
_cell_length_c [8.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Te4Pd9]
_chemical_formula_sum '[Te16 Pd36]'
_cell_volume [948.1931]
_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
[
  Te  Te0  4  0.0485  0.2373  0.8570  1
  Te  Te1  4  0.2444  0.0041  0.1466  1
  Te  Te2  4  0.3013  0.5056  0.1084  1
  Te  Te3  4  0.4632  0.7482  0.9328  1
  Pd  Pd4  4  0.0240  0.6515  0.3935  1
  Pd  Pd5  4  0.0380  0.0620  0.3875  1
  Pd  Pd6  4  0.1125  0.0482  0.8575  1
  Pd  Pd7  4  0.1713  0.6390  0.8618  1
  Pd  Pd8  4  0.2055  0.1783  0.6044  1
  Pd  Pd9  4  0.2768  0.6957  0.1720  1
  Pd  Pd10  4  0.3451  0.1688  0.2999  1
  Pd  Pd11  4  0.4159  0.5652  0.3926  1
  Pd  Pd12  4  0.4979  0.1314  0.8084  1
]