data_[Ba8Pr4Zn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  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 [4.5804]
_cell_length_b [20.2743]
_cell_length_c [14.2848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2PrZnTe5]
_chemical_formula_sum '[Ba8 Pr4 Zn4 Te20]'
_cell_volume [1326.5472]
_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  0.1197  0.6926  1.0
  Ba  Ba1  4  0.0000  0.1220  0.3322  1.0
  Pr  Pr2  4  0.0000  0.1998  0.0218  1.0
  Zn  Zn3  4  0.0000  0.4378  0.4296  1.0
  Te  Te4  4  0.0000  0.0381  0.0287  1.0
  Te  Te5  4  0.0000  0.3009  0.6745  1.0
  Te  Te6  4  0.0000  0.3090  0.3638  1.0
  Te  Te7  4  0.0000  0.3546  0.0137  1.0
  Te  Te8  4  0.0000  0.4991  0.7671  1.0
]