data_[Pu1Th6In5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7811]
_cell_length_b [7.0594]
_cell_length_c [8.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuTh6In5]
_chemical_formula_sum '[Pu1 Th6 In5]'
_cell_volume [344.1543]
_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
[
  Pu  Pu0  1  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.1468  0.2494  0.3286  1
  Th  Th2  2  0.5000  0.2507  0.0000  1
  In  In3  2  0.3449  0.0000  0.6637  1
  In  In4  2  0.3511  0.5000  0.6550  1
  In  In5  1  0.0000  0.5000  0.0000  1
]