data_[Pu2In12Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3659]
_cell_length_b [4.6057]
_cell_length_c [11.3178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu(In2Pd)3]
_chemical_formula_sum '[Pu2 In12 Pd6]'
_cell_volume [444.6913]
_cell_formula_units_Z [2]
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
[
  Pu  Pu0  2  0.1261  0.2500  0.6485  1
  In  In1  2  0.1243  0.2500  0.3623  1
  In  In2  2  0.1409  0.7500  0.8937  1
  In  In3  2  0.1658  0.7500  0.1972  1
  In  In4  2  0.3718  0.2500  0.9720  1
  In  In5  2  0.3981  0.7500  0.7436  1
  In  In6  2  0.4700  0.2500  0.5821  1
  Pd  Pd7  2  0.1188  0.2500  0.0335  1
  Pd  Pd8  2  0.2644  0.7500  0.4766  1
  Pd  Pd9  2  0.4268  0.7500  0.1460  1
]