data_[Ba8Sr6Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2543]
_cell_length_b [10.8378]
_cell_length_c [21.3435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba4Sr3Tl4]
_chemical_formula_sum '[Ba8 Sr6 Tl8]'
_cell_volume [984.0850]
_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  8  0.0000  0.1852  0.6663  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0956  1.0
  Sr  Sr2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.2814  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2685  1.0
]