data_[Th6Zn9Ni36Pt3]
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
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0915]
_cell_length_b [6.0915]
_cell_length_c [25.7732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Zn3Ni12Pt]
_chemical_formula_sum '[Th6 Zn9 Ni36 Pt3]'
_cell_volume [828.2177]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3616  1
  Zn  Zn1  9  0.0000  0.5000  0.5000  1
  Ni  Ni2  18  0.0494  0.5247  0.3960  1
  Ni  Ni3  18  0.0762  0.5381  0.1212  1
  Pt  Pt4  3  0.0000  0.0000  0.0000  1
]