data_[Cd2In2Hg2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3005]
_cell_length_b [3.4267]
_cell_length_c [11.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CdInHgPb3]
_chemical_formula_sum '[Cd2 In2 Hg2 Pb6]'
_cell_volume [350.9742]
_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
[
  Cd  Cd0  2  0.4851  0.7500  0.1158  1.0
  In  In1  2  0.4496  0.2500  0.3596  1.0
  Hg  Hg2  2  0.1037  0.7500  0.3278  1.0
  Pb  Pb3  2  0.1635  0.2500  0.0971  1.0
  Pb  Pb4  2  0.2041  0.7500  0.8440  1.0
  Pb  Pb5  2  0.2211  0.2500  0.5812  1.0
]