data_[Ba4Sr12Tl2]
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 [Amm2]
_cell_length_a [4.3280]
_cell_length_b [19.3623]
_cell_length_c [11.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2Sr6Tl]
_chemical_formula_sum '[Ba4 Sr12 Tl2]'
_cell_volume [946.3767]
_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  0.0000  0.1768  0.5010  1
  Sr  Sr1  4  0.0000  0.1126  0.8693  1
  Sr  Sr2  4  0.5000  0.1683  0.1769  1
  Sr  Sr3  2  0.0000  0.0000  0.2707  1
  Sr  Sr4  2  0.5000  0.0000  0.6100  1
  Tl  Tl5  2  0.5000  0.0000  0.0251  1
]