data_[Y2In10Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.2240]
_cell_length_b [7.6634]
_cell_length_c [8.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [YIn5Hg8]
_chemical_formula_sum '[Y2 In10 Hg16]'
_cell_volume [756.6593]
_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
[
  Y  Y0  2  0.0000  0.8210  0.5000  1
  In  In1  4  0.0665  0.1297  0.2973  1
  In  In2  4  0.1262  0.8547  0.9877  1
  In  In3  2  0.0000  0.4570  0.0000  1
  Hg  Hg4  4  0.0738  0.4606  0.7222  1
  Hg  Hg5  4  0.1531  0.7135  0.3674  1
  Hg  Hg6  4  0.1842  0.1079  0.7400  1
  Hg  Hg7  4  0.2272  0.2196  0.1812  1
]