data_[Ce2Pu2Te12]
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 [Amm2]
_cell_length_a [4.3972]
_cell_length_b [4.3966]
_cell_length_c [26.5283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CePuTe6]
_chemical_formula_sum '[Ce2 Pu2 Te12]'
_cell_volume [512.8595]
_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  0.5000  0.0000  0.8282  1
  Pu  Pu1  2  0.0000  0.0000  0.1716  1
  Te  Te2  2  0.0000  0.0000  0.2943  1
  Te  Te3  2  0.0000  0.0000  0.5799  1
  Te  Te4  2  0.0000  0.0000  0.9208  1
  Te  Te5  2  0.5000  0.0000  0.0798  1
  Te  Te6  2  0.5000  0.0000  0.4208  1
  Te  Te7  2  0.5000  0.0000  0.7046  1
]