data_[Sr8Li8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [12.2027]
_cell_length_b [5.1298]
_cell_length_c [12.2346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Li2Tl]
_chemical_formula_sum '[Sr8 Li8 Tl4]'
_cell_volume [668.1396]
_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
[
  Sr  Sr0  4  0.0149  0.0000  0.3343  1.0
  Sr  Sr1  4  0.2029  0.0000  0.1212  1.0
  Li  Li2  4  0.0030  0.5000  0.8837  1.0
  Li  Li3  4  0.1581  0.5000  0.5468  1.0
  Tl  Tl4  4  0.2284  0.5000  0.3449  1.0
]