data_[Pu2Sn4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9487]
_cell_length_b [10.0251]
_cell_length_c [7.7726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PuSn2Se3]
_chemical_formula_sum '[Pu2 Sn4 Se6]'
_cell_volume [307.6926]
_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  0.0000  0.1109  0.9741  1
  Sn  Sn1  2  0.0000  0.2196  0.4232  1
  Sn  Sn2  2  0.5000  0.4404  0.5999  1
  Se  Se3  2  0.0000  0.4000  0.8470  1
  Se  Se4  2  0.5000  0.0562  0.6919  1
  Se  Se5  2  0.5000  0.2827  0.1653  1
]