data_[Ce4Pr2Th6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7308]
_cell_length_b [4.4510]
_cell_length_c [9.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Pr(ThTe2)3]
_chemical_formula_sum '[Ce4 Pr2 Th6 Te12]'
_cell_volume [762.3690]
_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  4  0.1676  0.0000  0.3324  1
  Pr  Pr1  2  0.0000  0.5000  0.0000  1
  Th  Th2  4  0.1648  0.0000  0.8284  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0019  0.0000  0.2513  1
  Te  Te5  4  0.1669  0.5000  0.5790  1
  Te  Te6  4  0.1675  0.5000  0.0826  1
]