data_HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   150.23
_cell_angle_beta   130.74
_cell_angle_gamma   58.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh
_chemical_formula_sum   'Hg2 Rh2'
_cell_volume   71.83
_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  0.48  0.2  0.92  1.0
  Hg  Hg1  1  0.0  0.2  0.11  1.0
  Rh  Rh2  1  0.48  0.2  0.57  1.0
  Rh  Rh3  1  0.0  0.2  0.46  1.0

data_HgRh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.97
_cell_length_b   4.81
_cell_length_c   5.77
_cell_angle_alpha   114.63
_cell_angle_beta   104.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgRh
_chemical_formula_sum   'Hg2 Rh2'
_cell_volume   71.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.34  0.1  0.34  1.0
  Rh  Rh1  2  0.32  0.56  0.32  1.0

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