data_[Y12In4Hg12]
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 [10.1544]
_cell_length_b [10.1810]
_cell_length_c [7.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3InHg3]
_chemical_formula_sum '[Y12 In4 Hg12]'
_cell_volume [758.1438]
_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  8  0.2465  0.2027  0.2509  1
  Y  Y1  4  0.0639  0.0000  0.7536  1
  In  In2  4  0.1535  0.5000  0.0503  1
  Hg  Hg3  4  0.0000  0.2433  0.5000  1
  Hg  Hg4  4  0.0000  0.2433  0.0000  1
  Hg  Hg5  4  0.1665  0.5000  0.4539  1
]