data_KHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   130.49
_cell_angle_beta   130.49
_cell_angle_gamma   72.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgRh2
_chemical_formula_sum   'K1 Hg1 Rh2'
_cell_volume   78.27
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.17  1.0
  Rh  Rh2  1  0.0  0.17  0.08  1.0
  Rh  Rh3  1  0.17  0.0  0.08  1.0

data_KHgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   126.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHgRh2
_chemical_formula_sum   'K2 Hg2 Rh4'
_cell_volume   156.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.33  0.5  0.83  1.0
  Rh  Rh2  4  0.5  0.42  0.08  1.0

K Hg Rh Rh
K Hg Rh Rh 0 2 o o o 0 3 o o o 0 1 o o o 