data_[Ba2Na14Tl10]
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 [Imm2]
_cell_length_a [6.2776]
_cell_length_b [11.6811]
_cell_length_c [11.5421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaNa7Tl5]
_chemical_formula_sum '[Ba2 Na14 Tl10]'
_cell_volume [846.3795]
_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  0.9737  1.0
  Na  Na1  4  0.0000  0.2867  0.4984  1.0
  Na  Na2  4  0.0000  0.3517  0.0113  1.0
  Na  Na3  2  0.0000  0.0000  0.3341  1.0
  Na  Na4  2  0.0000  0.0000  0.6466  1.0
  Na  Na5  2  0.0000  0.5000  0.7179  1.0
  Tl  Tl6  8  0.2457  0.2497  0.7518  1.0
  Tl  Tl7  2  0.0000  0.5000  0.3010  1.0
]