data_[Ba8Y4Zn4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  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 [4.5257]
_cell_length_b [20.2432]
_cell_length_c [14.1199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2YZnTe5]
_chemical_formula_sum '[Ba8 Y4 Zn4 Te20]'
_cell_volume [1293.6024]
_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  0.1200  0.6929  1.0
  Ba  Ba1  4  0.0000  0.1240  0.3256  1.0
  Y  Y2  4  0.0000  0.2016  0.0195  1.0
  Zn  Zn3  4  0.0000  0.4359  0.4330  1.0
  Te  Te4  4  0.0000  0.0470  0.0363  1.0
  Te  Te5  4  0.0000  0.2983  0.6670  1.0
  Te  Te6  4  0.0000  0.3060  0.3674  1.0
  Te  Te7  4  0.0000  0.3517  0.0113  1.0
  Te  Te8  4  0.0000  0.5000  0.7708  1.0
]