data_[Ba8Zn4Bi4Se20]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3135]
_cell_length_b [18.9122]
_cell_length_c [13.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZnBiSe5]
_chemical_formula_sum '[Ba8 Zn4 Bi4 Se20]'
_cell_volume [1097.1026]
_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  4  0.0000  0.1130  0.6921  1.0
  Ba  Ba1  4  0.0000  0.1264  0.3331  1.0
  Zn  Zn2  4  0.0000  0.4462  0.4236  1.0
  Bi  Bi3  4  0.0000  0.2020  0.0308  1.0
  Se  Se4  4  0.0000  0.0302  0.0144  1.0
  Se  Se5  4  0.0000  0.2902  0.6783  1.0
  Se  Se6  4  0.0000  0.3146  0.3753  1.0
  Se  Se7  4  0.0000  0.3481  0.0149  1.0
  Se  Se8  4  0.0000  0.4922  0.7616  1.0
]