data_Hg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Rh
_chemical_formula_sum   'Hg4 Rh2'
_cell_volume   115.29
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.9  1.0
  Hg  Hg2  1  0.0  0.77  0.35  1.0
  Hg  Hg3  1  0.4  0.38  0.45  1.0
  Rh  Rh4  1  0.0  0.77  0.45  1.0
  Rh  Rh5  1  0.4  0.38  0.35  1.0

data_Hg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2Rh
_chemical_formula_sum   'Hg4 Rh2'
_cell_volume   115.29
_cell_formula_units_Z   2
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
  Hg  Hg0  1  -0.0  0.77  0.35  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.9  1.0
  Hg  Hg3  1  0.4  0.38  0.45  1.0
  Rh  Rh4  1  -0.0  0.77  0.45  1.0
  Rh  Rh5  1  0.4  0.38  0.35  1.0

Hg Hg Hg Hg Rh Rh
Hg Hg Hg Hg Rh Rh 0 1 o o - 2 4 o o o 3 5 o o o 