data_[Sr4Li4Tl6]
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 [11.8072]
_cell_length_b [4.7446]
_cell_length_c [8.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Li2Tl3]
_chemical_formula_sum '[Sr4 Li4 Tl6]'
_cell_volume [404.0448]
_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
[
  Sr  Sr0  4  0.1396  0.0000  0.7669  1.0
  Li  Li1  4  0.1277  0.0000  0.2043  1.0
  Tl  Tl2  4  0.1331  0.5000  0.4455  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
]