data_[Ce8Pu2Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.3207]
_cell_length_b [6.4492]
_cell_length_c [8.4906]
_cell_angle_alpha [79.8657]
_cell_angle_beta [71.9143]
_cell_angle_gamma [62.2809]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ce8Pu2Hg]
_chemical_formula_sum '[Ce8 Pu2 Hg1]'
_cell_volume [291.0459]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.1702  0.2081  0.8616  1
  Ce  Ce1  1  0.4314  0.2335  0.4935  1
  Ce  Ce2  1  0.4398  0.6156  0.7192  1
  Ce  Ce3  1  0.5035  0.1965  0.0893  1
  Ce  Ce4  1  0.5394  0.6017  0.1352  1
  Ce  Ce5  1  0.7989  0.1593  0.7688  1
  Ce  Ce6  1  0.9621  0.0921  0.3012  1
  Ce  Ce7  1  0.9887  0.5594  0.4239  1
  Pu  Pu8  1  0.3427  0.8909  0.4409  1
  Pu  Pu9  1  0.8083  0.7271  0.7220  1
  Hg  Hg10  1  0.0150  0.7159  0.0443  1
]