data_[Ce6Pr8Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7518]
_cell_length_b [12.8044]
_cell_length_c [9.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(PrTe2)4]
_chemical_formula_sum '[Ce6 Pr8 Te16]'
_cell_volume [1044.1309]
_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  0.2500  0.2500  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Pr  Pr2  4  0.2500  0.2500  0.5000  1.0
  Pr  Pr3  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  4  0.0000  0.2491  0.5000  1.0
  Te  Te6  4  0.0000  0.2540  0.0000  1.0
  Te  Te7  4  0.2470  0.5000  0.4915  1.0
  Te  Te8  4  0.2471  0.5000  0.0017  1.0
]