data_[Sr4Tl16Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0906]
_cell_length_b [10.5696]
_cell_length_c [5.9253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl8Hg3]
_chemical_formula_sum '[Sr4 Tl16 Hg6]'
_cell_volume [835.9623]
_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  0.1610  0.0000  0.0878  1.0
  Tl  Tl1  8  0.1453  0.2368  0.5971  1.0
  Tl  Tl2  4  0.0646  0.5000  0.7729  1.0
  Tl  Tl3  4  0.1849  0.5000  0.3138  1.0
  Hg  Hg4  4  0.0000  0.2496  0.0000  1.0
  Hg  Hg5  2  0.0000  0.0000  0.5000  1.0
]