data_[Y2In4Hg16]
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/m]
_cell_length_a [16.7182]
_cell_length_b [4.7655]
_cell_length_c [7.3755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y(InHg4)2]
_chemical_formula_sum '[Y2 In4 Hg16]'
_cell_volume [557.6050]
_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  0.5000  0.0000  1
  In  In1  4  0.2259  0.0000  0.6459  1
  Hg  Hg2  4  0.0379  0.0000  0.7325  1
  Hg  Hg3  4  0.0920  0.5000  0.4539  1
  Hg  Hg4  4  0.1422  0.0000  0.1791  1
  Hg  Hg5  4  0.1745  0.5000  0.9032  1
]