data_[Ba8Zr4Zn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  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 [4.4419]
_cell_length_b [20.3603]
_cell_length_c [13.9731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2ZrZnTe5]
_chemical_formula_sum '[Ba8 Zr4 Zn4 Te20]'
_cell_volume [1263.7037]
_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  0.1152  0.6894  1.0
  Ba  Ba1  4  0.0000  0.1255  0.3121  1.0
  Zr  Zr2  4  0.0000  0.2061  0.0163  1.0
  Zn  Zn3  4  0.0000  0.4355  0.4433  1.0
  Te  Te4  4  0.0000  0.0618  0.0517  1.0
  Te  Te5  4  0.0000  0.2875  0.6558  1.0
  Te  Te6  4  0.0000  0.3033  0.3707  1.0
  Te  Te7  4  0.0000  0.3473  0.0040  1.0
  Te  Te8  4  0.0000  0.4981  0.2807  1.0
]