data_[Ba8Tl4Zn4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6058]
_cell_length_b [15.4344]
_cell_length_c [10.8973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TlZnO5]
_chemical_formula_sum '[Ba8 Tl4 Zn4 O20]'
_cell_volume [606.4626]
_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  0.1106  0.6851  1.0
  Ba  Ba1  4  0.0000  0.1292  0.3119  1.0
  Tl  Tl2  4  0.0000  0.2096  0.0166  1.0
  Zn  Zn3  4  0.0000  0.4507  0.4520  1.0
  O  O4  4  0.0000  0.0505  0.0288  1.0
  O  O5  4  0.0000  0.2898  0.6566  1.0
  O  O6  4  0.0000  0.3215  0.3830  1.0
  O  O7  4  0.0000  0.3529  0.0013  1.0
  O  O8  4  0.0000  0.4990  0.7886  1.0
]