data_[Ba8Ce4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [13.7825]
_cell_length_b [9.2432]
_cell_length_c [8.1986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2CeTe3]
_chemical_formula_sum '[Ba8 Ce4 Te12]'
_cell_volume [1036.6699]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  8  0.1596  0.3260  0.6945  1
  Ce  Ce1  4  0.0000  0.0762  0.2500  1
  Te  Te2  8  0.1699  0.0270  0.0102  1
  Te  Te3  4  0.0000  0.4015  0.2500  1
]