data_[Ba4Na5Tl2]
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 [P2/m]
_cell_length_a [9.6454]
_cell_length_b [4.4106]
_cell_length_c [11.9004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Na5Tl2]
_chemical_formula_sum '[Ba4 Na5 Tl2]'
_cell_volume [505.4204]
_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  0.1599  0.5000  0.8527  1.0
  Ba  Ba1  2  0.2325  0.5000  0.4568  1.0
  Na  Na2  2  0.1963  0.0000  0.1600  1.0
  Na  Na3  2  0.4493  0.0000  0.6934  1.0
  Na  Na4  1  0.5000  0.0000  0.0000  1.0
  Tl  Tl5  2  0.0500  0.0000  0.6378  1.0
]