data_[Th2Si4Ni3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1205]
_cell_length_b [4.1205]
_cell_length_c [9.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Th2Si4Ni3Pd]
_chemical_formula_sum '[Th2 Si4 Ni3 Pd1]'
_cell_volume [163.7769]
_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  0.5000  0.7553  1
  Si  Si1  2  0.0000  0.5000  0.3628  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  Si  Si3  1  0.5000  0.5000  0.0000  1
  Ni  Ni4  2  0.0000  0.5000  0.1169  1
  Ni  Ni5  1  0.0000  0.0000  0.5000  1
  Pd  Pd6  1  0.5000  0.5000  0.5000  1
]