data_[Y6Cd6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.4288]
_cell_length_b [3.7492]
_cell_length_c [8.1700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YCdHg]
_chemical_formula_sum '[Y6 Cd6 Hg6]'
_cell_volume [441.9697]
_cell_formula_units_Z [6]
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  0.0550  0.0000  0.7606  1.0
  Y  Y1  2  0.2500  0.0000  0.1792  1.0
  Cd  Cd2  4  0.1011  0.5000  0.4323  1.0
  Cd  Cd3  2  0.2500  0.5000  0.8394  1.0
  Hg  Hg4  4  0.0933  0.5000  0.0683  1.0
  Hg  Hg5  2  0.2500  0.0000  0.5639  1.0
]