data_[Y8Sn4Hg8]
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 [C2/m]
_cell_length_a [11.4840]
_cell_length_b [4.5423]
_cell_length_c [11.1446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2SnHg2]
_chemical_formula_sum '[Y8 Sn4 Hg8]'
_cell_volume [527.0987]
_cell_formula_units_Z [4]
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  4  0.0003  0.0000  0.6761  1.0
  Y  Y1  4  0.1792  0.0000  0.0974  1.0
  Sn  Sn2  4  0.2119  0.5000  0.3109  1.0
  Hg  Hg3  4  0.0515  0.5000  0.8937  1.0
  Hg  Hg4  4  0.1396  0.5000  0.5445  1.0
]