data_[Ba2Cd4Ag3Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-4m2]
_cell_length_a [4.9199]
_cell_length_b [4.9199]
_cell_length_c [11.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Cd4Ag3Hg]
_chemical_formula_sum '[Ba2 Cd4 Ag3 Hg1]'
_cell_volume [284.8339]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7491  1.0
  Cd  Cd1  2  0.0000  0.5000  0.3677  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.1289  1.0
  Ag  Ag5  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg6  1  0.5000  0.5000  0.5000  1.0
]