data_[Th6Ni36As9Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7067]
_cell_length_b [8.7067]
_cell_length_c [12.0484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Ni12As3Pd]
_chemical_formula_sum '[Th6 Ni36 As9 Pd3]'
_cell_volume [790.9810]
_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  0.3251  1
  Ni  Ni1  18  0.0031  0.5016  0.6945  1
  Ni  Ni2  18  0.0095  0.5048  0.1097  1
  As  As3  9  0.0000  0.5000  0.5000  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
]