data_[Sr16Tl2Hg4]
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 [20.6072]
_cell_length_b [5.7236]
_cell_length_c [8.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8TlHg2]
_chemical_formula_sum '[Sr16 Tl2 Hg4]'
_cell_volume [918.1459]
_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  0.0340  0.0000  0.7948  1.0
  Sr  Sr1  4  0.0940  0.5000  0.4550  1.0
  Sr  Sr2  4  0.1718  0.5000  0.9667  1.0
  Sr  Sr3  4  0.2012  0.0000  0.3172  1.0
  Tl  Tl4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1822  0.0000  0.7029  1.0
]