data_[Sr3Li12Tl6Hg3]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8205]
_cell_length_b [4.8205]
_cell_length_c [28.0976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SrLi4Tl2Hg]
_chemical_formula_sum '[Sr3 Li12 Tl6 Hg3]'
_cell_volume [565.4460]
_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  3  0.0000  0.0000  0.0000  1.0
  Li  Li1  6  0.0000  0.0000  0.1353  1.0
  Li  Li2  6  0.0000  0.0000  0.4073  1.0
  Tl  Tl3  6  0.0000  0.0000  0.2495  1.0
  Hg  Hg4  3  -0.0000  -0.0000  0.5000  1.0
]