data_[Pu2In2Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7094]
_cell_length_b [3.0328]
_cell_length_c [10.3980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PuInAg2]
_chemical_formula_sum '[Pu2 In2 Ag4]'
_cell_volume [177.4198]
_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  0.0197  0.5000  0.5002  1
  In  In1  2  0.3268  0.0000  0.9998  1
  Ag  Ag2  2  0.2465  0.5000  0.2402  1
  Ag  Ag3  2  0.4070  0.5000  0.7598  1
]