data_[Li12Dy4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [14.4274]
_cell_length_b [4.5924]
_cell_length_c [9.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3DyTl2]
_chemical_formula_sum '[Li12 Dy4 Tl8]'
_cell_volume [523.3003]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.0513  0.0000  0.3928  1
  Li  Li1  4  0.0917  0.5000  0.6852  1
  Li  Li2  4  0.2409  0.5000  0.5715  1
  Dy  Dy3  4  0.1339  0.0000  0.0067  1
  Tl  Tl4  4  0.0588  0.5000  0.2063  1
  Tl  Tl5  4  0.2107  0.0000  0.7413  1
]