data_KCdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   6.1
_cell_angle_alpha   110.18
_cell_angle_beta   110.18
_cell_angle_gamma   49.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdHg2
_chemical_formula_sum   'K1 Cd1 Hg2'
_cell_volume   134.41
_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
  K  K3  1  0.95  0.0  0.83  1.0
  Cd  Cd0  1  0.87  0.0  0.9  1.0
  Hg  Hg1  1  0.87  0.0  0.48  1.0
  Hg  Hg2  1  0.98  0.0  0.9  1.0

data_KCdHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   5.6
_cell_length_c   6.1
_cell_angle_alpha   110.18
_cell_angle_beta   90.0
_cell_angle_gamma   114.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdHg2
_chemical_formula_sum   'K1 Cd1 Hg2'
_cell_volume   134.41
_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
  K  K0  1  0.0  0.05  0.17  1.0
  Cd  Cd1  1  0.0  0.13  0.1  1.0
  Hg  Hg2  1  0.0  0.02  0.1  1.0
  Hg  Hg3  1  0.0  0.13  0.52  1.0

K Cd Hg Hg