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 [12.9339]
_cell_length_b [11.1840]
_cell_length_c [6.4929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaTl7Sn5]
_chemical_formula_sum '[Ba2 Tl14 Sn10]'
_cell_volume [822.7275]
_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  0.4882  0.5000  0.9847  1
  Tl  Tl1  4  0.0012  0.2077  0.5005  1
  Tl  Tl2  4  0.0054  0.3527  0.0018  1
  Tl  Tl3  2  0.1329  0.5000  0.6380  1
  Tl  Tl4  2  0.2198  0.0000  0.7247  1
  Tl  Tl5  2  0.3425  0.0000  0.3458  1
  Sn  Sn6  4  0.2536  0.2601  0.5067  1
  Sn  Sn7  4  0.2550  0.2588  0.0029  1
  Sn  Sn8  2  0.2864  0.5000  0.2832  1
]