data_[Ce2Pu10Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3948]
_cell_length_b [9.3948]
_cell_length_c [9.3878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CePu5Te8]
_chemical_formula_sum '[Ce2 Pu10 Te16]'
_cell_volume [828.5957]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.7500  1
  Pu  Pu1  8  0.1254  0.7501  0.1254  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.0746  0.6754  0.4493  1
  Te  Te4  8  0.0757  0.8266  0.8011  1
]