data_K2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   134.2
_cell_angle_beta   131.22
_cell_angle_gamma   69.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgGe
_chemical_formula_sum   'K2 Hg1 Ge1'
_cell_volume   129.56
_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  0.43  0.0  0.58  1.0
  K  K3  1  0.0  0.58  0.57  1.0
  Hg  Hg1  1  0.0  0.0  0.15  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_K2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   5.17
_cell_length_c   6.26
_cell_angle_alpha   114.39
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgGe
_chemical_formula_sum   'K2 Hg1 Ge1'
_cell_volume   129.56
_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  0.43  0.01  0.01  1.0
  K  K1  1  0.85  0.42  0.85  1.0
  Hg  Hg2  1  0.85  0.85  0.85  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

K K Hg Ge
K K Hg Ge 0 3 o o o 0 3 + o + 0 2 o o o 1 3 o + + 2 3 o o o 