data_[Ba4Li4Dy2Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.0802]
_cell_length_b [12.0802]
_cell_length_c [4.0314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2Li2DyTl5]
_chemical_formula_sum '[Ba4 Li4 Dy2 Tl10]'
_cell_volume [588.3094]
_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  0.1783  0.6783  0.0000  1.0
  Li  Li1  4  0.1207  0.3793  0.0000  1.0
  Dy  Dy2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  8  0.0597  0.2064  0.5000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
]