data_[Sr16Sn8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.0191]
_cell_length_b [10.1616]
_cell_length_c [17.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr2SnHg3]
_chemical_formula_sum '[Sr16 Sn8 Hg24]'
_cell_volume [1439.2028]
_cell_formula_units_Z [8]
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  8  0.2433  0.0000  0.0000  1.0
  Sr  Sr1  8  0.2500  0.2500  0.2500  1.0
  Sn  Sn2  8  0.0000  0.0000  0.3346  1.0
  Hg  Hg3  16  0.0000  0.2492  0.4168  1.0
  Hg  Hg4  8  0.0000  0.0000  0.1669  1.0
]