data_[Ba8Zn4Te4S20]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1044]
_cell_length_b [18.3573]
_cell_length_c [12.7259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZnTeS5]
_chemical_formula_sum '[Ba8 Zn4 Te4 S20]'
_cell_volume [958.8434]
_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  0.1036  0.6843  1.0
  Ba  Ba1  4  0.0000  0.1240  0.3040  1.0
  Zn  Zn2  4  0.0000  0.4396  0.4492  1.0
  Te  Te3  4  0.0000  0.2157  0.0177  1.0
  S  S4  4  0.0000  0.0596  0.0451  1.0
  S  S5  4  0.0000  0.2774  0.6586  1.0
  S  S6  4  0.0000  0.3044  0.3777  1.0
  S  S7  4  0.0000  0.3516  0.9975  1.0
  S  S8  4  0.0000  0.4984  0.2898  1.0
]