data_[Th4Cd12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3918]
_cell_length_b [4.0219]
_cell_length_c [9.0929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThCd3Pt2]
_chemical_formula_sum '[Th4 Cd12 Pt8]'
_cell_volume [553.6453]
_cell_formula_units_Z [4]
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  0.1156  0.0000  0.0329  1
  Cd  Cd1  4  0.0562  0.0000  0.4038  1
  Cd  Cd2  4  0.1251  0.5000  0.6974  1
  Cd  Cd3  4  0.2054  0.5000  0.3807  1
  Pt  Pt4  4  0.0180  0.5000  0.1673  1
  Pt  Pt5  4  0.2459  0.0000  0.8820  1
]