data_[Th4Pd15Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.2074]
_cell_length_b [4.2074]
_cell_length_c [20.4836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Th4Pd15Pt]
_chemical_formula_sum '[Th4 Pd15 Pt1]'
_cell_volume [362.6048]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1858  1
  Th  Th1  2  0.0000  0.0000  0.3957  1
  Pd  Pd2  4  0.0000  0.5000  0.0931  1
  Pd  Pd3  4  0.0000  0.5000  0.2957  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
  Pd  Pd5  2  0.5000  0.5000  0.1953  1
  Pd  Pd6  2  0.5000  0.5000  0.3982  1
  Pd  Pd7  1  0.5000  0.5000  0.0000  1
  Pt  Pt8  1  0.0000  0.0000  0.0000  1
]