data_[Y8Cd4Hg8]
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 [C2/m]
_cell_length_a [11.4497]
_cell_length_b [4.7204]
_cell_length_c [10.5750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2CdHg2]
_chemical_formula_sum '[Y8 Cd4 Hg8]'
_cell_volume [518.2720]
_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  4  0.0160  0.5000  0.3365  1
  Y  Y1  4  0.1753  0.5000  0.0925  1
  Cd  Cd2  4  0.2174  0.0000  0.3359  1
  Hg  Hg3  4  0.0451  0.0000  0.8818  1
  Hg  Hg4  4  0.1360  0.0000  0.5858  1
]