data_[Y20Sn8Hg8]
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 [Cmce]
_cell_length_a [15.7686]
_cell_length_b [8.2259]
_cell_length_c [7.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Y5(SnHg)2]
_chemical_formula_sum '[Y20 Sn8 Hg8]'
_cell_volume [1022.6911]
_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  16  0.1388  0.1734  0.6655  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  8  0.2050  0.0000  0.0000  1.0
  Hg  Hg3  8  0.0000  0.1326  0.3702  1.0
]