data_[Pu2Cu1Si3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0292]
_cell_length_b [4.0312]
_cell_length_c [6.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pu2CuSi3]
_chemical_formula_sum '[Pu2 Cu1 Si3]'
_cell_volume [113.5076]
_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  0.5068  1
  Pu  Pu1  1  0.0000  0.5000  0.9934  1
  Si  Si2  1  0.5000  0.0000  0.1730  1
  Si  Si3  1  0.5000  0.0000  0.8361  1
  Cu  Cu4  1  0.5000  0.5000  0.3300  1
  Si  Si5  1  0.5000  0.5000  0.6607  1
]