data_[Ba2Ce6Y4Te12]
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
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7930]
_cell_length_b [4.4692]
_cell_length_c [9.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCe3(YTe3)2]
_chemical_formula_sum '[Ba2 Ce6 Y4 Te12]'
_cell_volume [784.5369]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  4  0.1611  0.0000  0.8273  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.1698  0.0000  0.3385  1.0
  Te  Te4  4  0.0071  0.0000  0.2684  1.0
  Te  Te5  4  0.1681  0.5000  0.5768  1.0
  Te  Te6  4  0.1743  0.5000  0.0957  1.0
]