data_[Ba6Na14Tl8]
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 [C2/m]
_cell_length_a [20.6844]
_cell_length_b [4.7491]
_cell_length_c [13.1640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Na7Tl4]
_chemical_formula_sum '[Ba6 Na14 Tl8]'
_cell_volume [1056.3101]
_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  4  0.1943  0.5000  0.2020  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Na  Na2  4  0.0148  0.5000  0.7831  1
  Na  Na3  4  0.1722  0.0000  0.9314  1
  Na  Na4  4  0.1793  0.5000  0.5120  1
  Na  Na5  2  0.0000  0.0000  0.0000  1
  Tl  Tl6  4  0.1136  0.0000  0.3083  1
  Tl  Tl7  4  0.1585  0.5000  0.7462  1
]