data_[Ba8Zn4Bi4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5323]
_cell_length_b [22.3812]
_cell_length_c [13.3609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZnBiTe5]
_chemical_formula_sum '[Ba8 Zn4 Bi4 Te20]'
_cell_volume [1355.3062]
_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  0.1136  0.3091  1.0
  Ba  Ba1  4  0.0000  0.1150  0.7148  1.0
  Zn  Zn2  4  0.0000  0.4503  0.4448  1.0
  Bi  Bi3  4  0.0000  0.2308  0.0142  1.0
  Te  Te4  4  0.0000  0.0826  0.0321  1.0
  Te  Te5  4  0.0000  0.2764  0.6796  1.0
  Te  Te6  4  0.0000  0.2771  0.3482  1.0
  Te  Te7  4  0.0000  0.3666  0.0124  1.0
  Te  Te8  4  0.0000  0.4977  0.2688  1.0
]