data_[Y16Sn8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.1369]
_cell_length_b [9.8983]
_cell_length_c [17.0287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Y2SnHg3]
_chemical_formula_sum '[Y16 Sn8 Hg24]'
_cell_volume [1202.9643]
_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
[
  Y  Y0  8  0.2458  0.0000  0.0000  1.0
  Y  Y1  8  0.2500  0.2500  0.2500  1.0
  Sn  Sn2  8  0.0000  0.0000  0.3344  1.0
  Hg  Hg3  16  0.0000  0.2492  0.0827  1.0
  Hg  Hg4  8  0.0000  0.0000  0.1658  1.0
]