data_[Ba4Na3Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1656]
_cell_length_b [6.1656]
_cell_length_c [11.7674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba4Na3Tl2]
_chemical_formula_sum '[Ba4 Na3 Tl2]'
_cell_volume [387.4022]
_cell_formula_units_Z [1]
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  0.3148  1
  Ba  Ba1  2  0.3333  0.6667  0.8855  1
  Na  Na2  2  0.3333  0.6667  0.4892  1
  Na  Na3  1  0.0000  0.0000  0.0000  1
  Tl  Tl4  2  0.3333  0.6667  0.2011  1
]