data_[Ba2Tl6Zn2]
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 [I4mm]
_cell_length_a [5.0565]
_cell_length_b [5.0565]
_cell_length_c [12.0818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaTl3Zn]
_chemical_formula_sum '[Ba2 Tl6 Zn2]'
_cell_volume [308.9138]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.1078  1
  Tl  Tl1  4  0.0000  0.5000  0.3680  1
  Tl  Tl2  2  0.0000  0.0000  0.7101  1
  Zn  Zn3  2  0.0000  0.0000  0.4835  1
]