data_[Pm2Pu8S10]
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 [C2/m]
_cell_length_a [13.1588]
_cell_length_b [3.9633]
_cell_length_c [9.7156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmPu4S5]
_chemical_formula_sum '[Pm2 Pu8 S10]'
_cell_volume [441.5127]
_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  0.0000  1
  Pu  Pu1  4  0.1001  0.5000  0.4017  1
  Pu  Pu2  4  0.2014  0.0000  0.7997  1
  S  S3  4  0.1040  0.5000  0.8985  1
  S  S4  4  0.2002  0.0000  0.3034  1
  S  S5  2  0.0000  0.0000  0.5000  1
]