data_[Y6In4Hg8]
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 [11.1373]
_cell_length_b [4.9074]
_cell_length_c [9.2722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(InHg2)2]
_chemical_formula_sum '[Y6 In4 Hg8]'
_cell_volume [450.7004]
_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  4  0.1655  0.5000  0.6716  1
  Y  Y1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.1085  0.5000  0.2740  1
  Hg  Hg3  4  0.0875  0.0000  0.4227  1
  Hg  Hg4  4  0.1932  0.5000  0.0237  1
]