data_HgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   4.03
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgRh2
_chemical_formula_sum   'Hg4 Rh8'
_cell_volume   195.79
_cell_formula_units_Z   4
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  0.72  0.01  0.78  1.0
  Hg  Hg1  1  0.12  0.02  0.51  1.0
  Hg  Hg2  1  0.57  0.01  0.01  1.0
  Hg  Hg3  1  0.97  0.02  0.75  1.0
  Rh  Rh4  1  0.69  0.01  0.2  1.0
  Rh  Rh5  1  0.66  0.01  0.95  1.0
  Rh  Rh6  1  0.18  0.02  0.69  1.0
  Rh  Rh7  1  0.16  0.02  0.46  1.0
  Rh  Rh8  1  0.54  0.01  0.07  1.0
  Rh  Rh9  1  0.51  0.01  0.83  1.0
  Rh  Rh10  1  0.03  0.02  0.57  1.0
  Rh  Rh11  1  0.0  0.02  0.33  1.0

data_HgRh2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.03
_cell_length_b   5.69
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgRh2
_chemical_formula_sum   'Hg4 Rh8'
_cell_volume   195.79
_cell_formula_units_Z   4
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  0.49  0.72  0.25  1.0
  Hg  Hg1  2  0.49  0.88  0.01  1.0
  Rh  Rh2  2  0.49  0.66  0.07  1.0
  Rh  Rh3  2  0.49  0.69  0.3  1.0
  Rh  Rh4  2  0.49  0.82  0.19  1.0
  Rh  Rh5  2  0.49  0.84  0.43  1.0

Hg Hg Hg Hg Rh Rh Rh Rh Rh Rh Rh Rh
Hg Hg Hg Hg Rh Rh Rh Rh Rh Rh Rh Rh 0 9 o o o 0 5 o o o 0 3 o o o 1 7 o o o 1 6 o o o 1 10 o o o 2 8 o o o 2 5 o o - 2 9 o o - 3 10 + o o 3 6 + o o 4 8 o o o 5 9 o o o 6 10 o o o 7 11 o o o 