data_[Cs6Ba2Ce4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3523]
_cell_length_b [14.4585]
_cell_length_c [9.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ba(CeTe3)2]
_chemical_formula_sum '[Cs6 Ba2 Ce4 Te12]'
_cell_volume [1074.3232]
_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
[
  Cs  Cs0  4  0.0000  0.1588  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce3  4  0.0000  0.3326  0.0000  1.0
  Te  Te4  8  0.2474  0.1814  0.1964  1.0
  Te  Te5  4  0.2023  0.5000  0.1933  1.0
]