data_[Pm6Tm2Pu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8674]
_cell_length_b [11.8967]
_cell_length_c [6.9160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm3Tm(PuS3)2]
_chemical_formula_sum '[Pm6 Tm2 Pu4 S12]'
_cell_volume [533.2784]
_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  4  0.0000  0.1683  0.5000  1
  Pm  Pm1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Pu  Pu3  4  0.0000  0.3336  0.0000  1
  S  S4  8  0.2438  0.1644  0.2385  1
  S  S5  4  0.2482  0.0000  0.7588  1
]