data_[Y2Cd8Hg14]
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 [12.5646]
_cell_length_b [6.1639]
_cell_length_c [9.4260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YCd4Hg7]
_chemical_formula_sum '[Y2 Cd8 Hg14]'
_cell_volume [623.6588]
_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  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0026  0.5000  0.3316  1.0
  Cd  Cd2  4  0.2476  0.5000  0.3271  1.0
  Hg  Hg3  4  0.0024  0.0000  0.3391  1.0
  Hg  Hg4  4  0.2408  0.5000  0.6572  1.0
  Hg  Hg5  4  0.2490  0.5000  0.9985  1.0
  Hg  Hg6  2  0.0000  0.5000  0.0000  1.0
]