data_[Ce8Pu1Os6]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.1617]
_cell_length_b [9.1617]
_cell_length_c [4.4359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce8PuOs6]
_chemical_formula_sum '[Ce8 Pu1 Os6]'
_cell_volume [322.4532]
_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  6  0.0587  0.7820  0.7554  1
  Ce  Ce1  2  0.3333  0.6667  0.2531  1
  Pu  Pu2  1  0.0000  0.0000  0.5000  1
  Os  Os3  6  0.0894  0.5054  0.7525  1
]