data_[Ba8Tl4Zn8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1055]
_cell_length_b [5.1384]
_cell_length_c [12.1927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2TlZn2]
_chemical_formula_sum '[Ba8 Tl4 Zn8]'
_cell_volume [666.8665]
_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  0.0212  0.0000  0.3354  1.0
  Ba  Ba1  4  0.2063  0.0000  0.1166  1.0
  Tl  Tl2  4  0.2286  0.5000  0.3538  1.0
  Zn  Zn3  4  0.0046  0.5000  0.8972  1.0
  Zn  Zn4  4  0.1271  0.5000  0.5527  1.0
]