data_K2TlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   7.65
_cell_angle_alpha   98.97
_cell_angle_beta   98.97
_cell_angle_gamma   37.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlHg
_chemical_formula_sum   'K2 Tl1 Hg1'
_cell_volume   165.02
_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  K1  1  0.93  0.0  0.7  1.0
  K  K2  1  0.11  0.0  0.85  1.0
  Tl  Tl3  1  0.02  0.0  0.77  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0

data_K2TlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.97
_cell_length_c   7.65
_cell_angle_alpha   98.97
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlHg
_chemical_formula_sum   'K2 Tl1 Hg1'
_cell_volume   165.02
_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  0.07  0.3  1.0
  K  K1  1  0.0  0.89  0.15  1.0
  Tl  Tl2  1  0.0  0.98  0.23  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0

K K Tl Hg