data_[Ba2Tl14Sn10]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0267]
_cell_length_b [11.0477]
_cell_length_c [6.5002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaTl7Sn5]
_chemical_formula_sum '[Ba2 Tl14 Sn10]'
_cell_volume [829.3122]
_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  0.0128  0.0000  0.0172  1.0
  Tl  Tl1  4  0.4944  0.1497  0.9971  1.0
  Tl  Tl2  4  0.4988  0.2934  0.4998  1.0
  Tl  Tl3  2  0.1556  0.5000  0.6521  1.0
  Tl  Tl4  2  0.2783  0.5000  0.2718  1.0
  Tl  Tl5  2  0.3661  0.0000  0.3630  1.0
  Sn  Sn6  4  0.2446  0.2412  0.9969  1.0
  Sn  Sn7  4  0.2462  0.2396  0.4923  1.0
  Sn  Sn8  2  0.2193  0.0000  0.7237  1.0
]