data_[Pu4Sn4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.2942]
_cell_length_b [3.2702]
_cell_length_c [5.5685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PuSnMo]
_chemical_formula_sum '[Pu4 Sn4 Mo4]'
_cell_volume [260.2964]
_cell_formula_units_Z [4]
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  0.3428  0.0000  0.3956  1
  Sn  Sn1  4  0.1494  0.0000  0.7447  1
  Mo  Mo2  2  0.0000  0.0000  0.4099  1
  Mo  Mo3  2  0.5000  0.0000  0.6429  1
]