data_[Ba2Cd2Te1Se1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3978]
_cell_length_b [4.3978]
_cell_length_c [13.0634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ba2Cd2TeSeO2]
_chemical_formula_sum '[Ba2 Cd2 Te1 Se1 O2]'
_cell_volume [218.8108]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.2905  1
  Ba  Ba1  1  0.6667  0.3333  0.7719  1
  Cd  Cd2  1  0.0000  0.0000  0.5048  1
  Cd  Cd3  1  0.0000  0.0000  0.9865  1
  Te  Te4  1  0.6667  0.3333  0.0813  1
  Se  Se5  1  0.3333  0.6667  0.5794  1
  O  O6  1  0.0000  0.0000  0.3397  1
  O  O7  1  0.0000  0.0000  0.8213  1
]