data_[Ba2Zn1Cd1Se2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2375]
_cell_length_b [4.2375]
_cell_length_c [12.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ba2ZnCd(SeO)2]
_chemical_formula_sum '[Ba2 Zn1 Cd1 Se2 O2]'
_cell_volume [196.2281]
_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  0.7660  1
  Ba  Ba1  1  0.6667  0.3333  0.2852  1
  Zn  Zn2  1  0.0000  0.0000  0.4971  1
  Cd  Cd3  1  0.0000  0.0000  0.9996  1
  Se  Se4  1  0.3333  0.6667  0.0865  1
  Se  Se5  1  0.6667  0.3333  0.5655  1
  O  O6  1  0.0000  0.0000  0.3457  1
  O  O7  1  0.0000  0.0000  0.8298  1
]