data_[Th8Te6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.7754]
_cell_length_b [8.8711]
_cell_length_c [7.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Th4Te3Pd]
_chemical_formula_sum '[Th8 Te6 Pd2]'
_cell_volume [494.0344]
_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
[
  Th  Th0  4  0.2226  0.1096  0.0037  1
  Th  Th1  4  0.2325  0.3627  0.4842  1
  Te  Te2  2  0.0000  0.3715  0.7500  1
  Te  Te3  2  0.5000  0.1298  0.7500  1
  Te  Te4  2  0.5000  0.3776  0.2500  1
  Pd  Pd5  2  0.0000  0.1267  0.2500  1
]