data_[Sr6Li9Mg36Tl3]
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
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.5302]
_cell_length_b [10.5302]
_cell_length_c [14.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Li3Mg12Tl]
_chemical_formula_sum '[Sr6 Li9 Mg36 Tl3]'
_cell_volume [1431.0467]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2449  1
  Li  Li1  9  0.0000  0.5000  0.5000  1
  Mg  Mg2  18  0.0194  0.5097  0.7078  1
  Mg  Mg3  18  0.0672  0.5336  0.0964  1
  Tl  Tl4  3  0.0000  0.0000  0.0000  1
]