data_[Y4Cd12Hg8]
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 [17.2579]
_cell_length_b [4.6599]
_cell_length_c [7.6803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCd3Hg2]
_chemical_formula_sum '[Y4 Cd12 Hg8]'
_cell_volume [576.3405]
_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  0.1164  0.0000  0.1822  1.0
  Cd  Cd1  4  0.0732  0.0000  0.6904  1.0
  Cd  Cd2  4  0.1258  0.5000  0.5051  1.0
  Cd  Cd3  4  0.1975  0.5000  0.9261  1.0
  Hg  Hg4  4  0.0175  0.5000  0.8318  1.0
  Hg  Hg5  4  0.2436  0.0000  0.6610  1.0
]