data_[Pu2Tl2Ag2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6512]
_cell_length_b [4.0814]
_cell_length_c [9.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuTlAgS3]
_chemical_formula_sum '[Pu2 Tl2 Ag2 S6]'
_cell_volume [313.4230]
_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  0.3263  0.2500  0.8484  1
  Tl  Tl1  2  0.2076  0.7500  0.2469  1
  Ag  Ag2  2  0.0741  0.7500  0.6038  1
  S  S3  2  0.1350  0.7500  0.8863  1
  S  S4  2  0.2342  0.2500  0.5489  1
  S  S5  2  0.4624  0.2500  0.1496  1
]