data_[Ba8Dy4Zn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5206]
_cell_length_b [20.2018]
_cell_length_c [14.1237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2DyZnTe5]
_chemical_formula_sum '[Ba8 Dy4 Zn4 Te20]'
_cell_volume [1289.8308]
_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  0.1199  0.6928  1.0
  Ba  Ba1  4  0.0000  0.1241  0.3259  1.0
  Dy  Dy2  4  0.0000  0.2013  0.0194  1.0
  Zn  Zn3  4  0.0000  0.4361  0.4330  1.0
  Te  Te4  4  0.0000  0.0467  0.0363  1.0
  Te  Te5  4  0.0000  0.2984  0.6663  1.0
  Te  Te6  4  0.0000  0.3061  0.3677  1.0
  Te  Te7  4  0.0000  0.3513  0.0116  1.0
  Te  Te8  4  0.0000  0.4998  0.7710  1.0
]