data_[Sr6Li36Mg3Tl9]
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 [6.9570]
_cell_length_b [6.9570]
_cell_length_c [33.6418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Li12MgTl3]
_chemical_formula_sum '[Sr6 Li36 Mg3 Tl9]'
_cell_volume [1410.1030]
_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  0.3512  1
  Li  Li1  18  0.0423  0.5211  0.5935  1
  Li  Li2  18  0.0699  0.5349  0.1186  1
  Mg  Mg3  3  0.0000  0.0000  0.0000  1
  Tl  Tl4  9  0.0000  0.5000  0.5000  1
]