data_[Ba4Cd12Hg2Pb2]
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
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9617]
_cell_length_b [9.5674]
_cell_length_c [11.1821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2Cd6HgPb]
_chemical_formula_sum '[Ba4 Cd12 Hg2 Pb2]'
_cell_volume [637.8051]
_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
[
  Ba  Ba0  4  0.0000  0.2441  0.7318  1.0
  Cd  Cd1  4  0.0000  0.2550  0.0751  1.0
  Cd  Cd2  4  0.2482  0.5000  0.9863  1.0
  Cd  Cd3  4  0.2487  0.5000  0.5088  1.0
  Hg  Hg4  2  0.0000  0.0000  0.2604  1.0
  Pb  Pb5  2  0.0000  0.5000  0.2625  1.0
]