data_K2BaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   8.4
_cell_angle_alpha   111.74
_cell_angle_beta   111.74
_cell_angle_gamma   39.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaHg
_chemical_formula_sum   'K2 Ba1 Hg1'
_cell_volume   217.24
_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  K2  1  0.83  0.0  0.17  1.0
  K  K3  1  0.85  0.0  0.6  1.0
  Ba  Ba0  1  0.22  0.0  0.93  1.0
  Hg  Hg1  1  0.81  0.0  0.89  1.0

data_K2BaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   6.62
_cell_length_c   8.4
_cell_angle_alpha   111.74
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaHg
_chemical_formula_sum   'K2 Ba1 Hg1'
_cell_volume   217.24
_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  0.15  0.4  1.0
  K  K1  1  0.0  0.17  0.83  1.0
  Ba  Ba2  1  0.0  0.78  0.07  1.0
  Hg  Hg3  1  0.0  0.19  0.11  1.0

K K Ba Hg