data_[Y3Cd3Hg3]
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 [P-62m]
_cell_length_a [8.1158]
_cell_length_b [8.1158]
_cell_length_c [3.8840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [YCdHg]
_chemical_formula_sum '[Y3 Cd3 Hg3]'
_cell_volume [221.5536]
_cell_formula_units_Z [3]
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  3  0.0000  0.6033  0.0000  1.0
  Cd  Cd1  3  0.0000  0.2734  0.5000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.5000  1.0
  Hg  Hg3  1  0.0000  0.0000  0.0000  1.0
]