data_[Ba4Sr2Li4Tl10]
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
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.8744]
_cell_length_b [11.8744]
_cell_length_c [4.4570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2SrLi2Tl5]
_chemical_formula_sum '[Ba4 Sr2 Li4 Tl10]'
_cell_volume [628.4339]
_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  0.1828  0.6828  0.0000  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1105  0.3895  0.0000  1.0
  Tl  Tl3  8  0.0620  0.2202  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
]