data_HgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2
_chemical_formula_sum   'Hg1 Rh2'
_cell_volume   49.75
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.59  0.42  1.0
  Rh  Rh2  1  0.25  0.3  0.42  1.0

data_HgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2
_chemical_formula_sum   'Hg1 Rh2'
_cell_volume   49.75
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.42  -0.0  0.59  1.0
  Rh  Rh2  1  0.42  0.25  0.3  1.0

Hg Rh Rh
Hg Rh Rh 0 2 o o - 0 2 o o o 0 1 o - o 0 1 o - - 1 2 o o o 