data_LiHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHgRh2
_chemical_formula_sum   'Li1 Hg1 Rh2'
_cell_volume   61.7
_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
  Li  Li1  1  0.0  0.0  0.82  1.0
  Hg  Hg0  1  0.57  0.57  0.25  1.0
  Rh  Rh2  1  0.57  0.57  0.26  1.0
  Rh  Rh3  1  0.0  0.0  0.36  1.0

data_LiHgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHgRh2
_chemical_formula_sum   'Li2 Hg2 Rh4'
_cell_volume   123.4
_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
  Li  Li0  2  0.0  0.0  0.82  1.0
  Hg  Hg1  2  0.07  0.5  0.25  1.0
  Rh  Rh2  2  0.0  0.0  0.36  1.0
  Rh  Rh3  2  0.07  0.5  0.26  1.0

Li Hg Rh Rh
Li Hg Rh Rh 0 2 - - + 0 2 - o + 0 2 o - + 0 2 o o + 0 1 - - + 0 1 - o + 0 1 o - + 0 1 o o + 0 0 + o o 0 0 o + o 0 3 o o o 0 3 o o + 1 2 o o o 1 3 + + o 1 3 + o o 1 3 o + o 2 3 + + o 2 3 + o o 2 3 o + o 