data_[Pm8Pu2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1970]
_cell_length_b [3.9345]
_cell_length_c [11.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm4PuS7]
_chemical_formula_sum '[Pm8 Pu2 S14]'
_cell_volume [594.2554]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.9990  1
  Pm  Pm1  2  0.1142  0.0000  0.4245  1
  Pm  Pm2  2  0.1974  0.5000  0.8075  1
  Pm  Pm3  2  0.3031  0.0000  0.1928  1
  Pu  Pu4  2  0.3851  0.5000  0.5771  1
  S  S5  2  0.0418  0.0000  0.7829  1
  S  S6  2  0.1599  0.5000  0.0507  1
  S  S7  2  0.2383  0.5000  0.3507  1
  S  S8  2  0.2646  0.0000  0.6498  1
  S  S9  2  0.3404  0.0000  0.9499  1
  S  S10  2  0.4585  0.5000  0.2156  1
  S  S11  2  0.4965  0.0000  0.4997  1
]