data_[Th2Sb7Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.4935]
_cell_length_b [10.4935]
_cell_length_c [4.4112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Th2Sb7Pd12]
_chemical_formula_sum '[Th2 Sb7 Pd12]'
_cell_volume [420.6588]
_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
[
  Th  Th0  2  0.3333  0.6667  0.2247  1
  Sb  Sb1  6  0.1068  0.7061  0.7123  1
  Sb  Sb2  1  0.0000  0.0000  0.5000  1
  Pd  Pd3  6  0.0655  0.4414  0.7805  1
  Pd  Pd4  6  0.1253  0.2563  0.2048  1
]