data_[Th4Al12Pd4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0149]
_cell_length_b [13.4943]
_cell_length_c [5.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThAl3PdPt]
_chemical_formula_sum '[Th4 Al12 Pd4 Pt4]'
_cell_volume [462.4172]
_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  0.0000  0.2945  0.7500  1
  Al  Al1  8  0.2142  0.5000  0.0000  1
  Al  Al2  4  0.0000  0.1316  0.2500  1
  Pd  Pd3  4  0.0000  0.3327  0.2500  1
  Pt  Pt4  4  0.0000  0.0901  0.7500  1
]