data_[Th6Zn14Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5659]
_cell_length_b [4.3889]
_cell_length_c [9.3573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3Zn7Pd4]
_chemical_formula_sum '[Th6 Zn14 Pd8]'
_cell_volume [532.7899]
_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  0.2005  0.5000  0.1994  1
  Th  Th1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0027  0.5000  0.8063  1
  Zn  Zn3  4  0.1355  0.0000  0.9163  1
  Zn  Zn4  4  0.1758  0.5000  0.5156  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Pd  Pd6  4  0.1157  0.0000  0.3361  1
  Pd  Pd7  4  0.1589  0.5000  0.7786  1
]