data_[Ce8Pu8Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.4831]
_cell_length_b [5.5480]
_cell_length_c [5.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce2Pu2Tl]
_chemical_formula_sum '[Ce8 Pu8 Tl4]'
_cell_volume [530.9406]
_cell_formula_units_Z [4]
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  8  0.1112  0.2464  0.2911  1
  Pu  Pu1  8  0.1958  0.1837  0.7350  1
  Tl  Tl2  4  0.0000  0.2510  0.7500  1
]