data_[Pu6In18Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5387]
_cell_length_b [4.1714]
_cell_length_c [11.2465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuIn3Pt2]
_chemical_formula_sum '[Pu6 In18 Pt12]'
_cell_volume [820.5181]
_cell_formula_units_Z [6]
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  4  0.1624  0.0000  0.6982  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0309  0.0000  0.3311  1
  In  In3  4  0.1274  0.5000  0.2006  1
  In  In4  4  0.1771  0.5000  0.9660  1
  In  In5  4  0.2129  0.0000  0.3970  1
  In  In6  2  0.0000  0.5000  0.5000  1
  Pt  Pt7  4  0.0267  0.5000  0.8333  1
  Pt  Pt8  4  0.1361  0.5000  0.4685  1
  Pt  Pt9  4  0.2151  0.0000  0.1522  1
]