data_[Cd3Ag1Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4772]
_cell_length_b [4.5997]
_cell_length_c [8.8443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Cd3AgHg4]
_chemical_formula_sum '[Cd3 Ag1 Hg4]'
_cell_volume [182.1382]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.0000  0.0000  0.0000  1
  Cd  Cd1  1  0.5000  0.5000  0.0000  1
  Cd  Cd2  1  0.5000  0.5000  0.5000  1
  Ag  Ag3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.2556  1
  Hg  Hg5  2  0.5000  0.0000  0.2581  1
]