data_[Ce4Th6Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [16.0129]
_cell_length_b [8.8808]
_cell_length_c [7.5434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Th3Te8]
_chemical_formula_sum '[Ce4 Th6 Te16]'
_cell_volume [1025.1241]
_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  0.2470  0.0000  0.3277  1
  Th  Th1  4  0.0000  0.2497  0.0000  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.1209  0.2523  0.4153  1
  Te  Te4  4  0.1140  0.5000  0.9017  1
  Te  Te5  4  0.1253  0.0000  0.9088  1
]