data_[Pm2Pu2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8866]
_cell_length_b [7.1278]
_cell_length_c [8.4824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PmPuF6]
_chemical_formula_sum '[Pm2 Pu2 F12]'
_cell_volume [234.9863]
_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  0.9753  1
  Pu  Pu1  2  0.5000  0.0000  0.5277  1
  F  F2  4  0.0000  0.1835  0.4017  1
  F  F3  4  0.5000  0.1783  0.0957  1
  F  F4  2  0.0000  0.0000  0.6738  1
  F  F5  2  0.5000  0.0000  0.8284  1
]