data_[Th16Tc2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.9315]
_cell_length_b [8.9315]
_cell_length_c [9.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Th8TcPd5]
_chemical_formula_sum '[Th16 Tc2 Pd10]'
_cell_volume [731.3608]
_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  8  0.0482  0.3118  0.5607  1
  Th  Th1  8  0.0632  0.2049  0.1852  1
  Tc  Tc2  2  0.0000  0.5000  0.2500  1
  Pd  Pd3  8  0.1112  0.2434  0.8684  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]