data_SiHg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   3.92
_cell_angle_alpha   104.13
_cell_angle_beta   104.13
_cell_angle_gamma   21.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Rh
_chemical_formula_sum   'Si1 Hg2 Rh1'
_cell_volume   80.3
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.03  0.0  0.61  1.0
  Hg  Hg1  1  0.92  0.0  0.19  1.0
  Rh  Rh2  1  0.98  0.0  0.9  1.0

data_SiHg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.92
_cell_length_c   7.6
_cell_angle_alpha   104.13
_cell_angle_beta   100.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHg2Rh
_chemical_formula_sum   'Si1 Hg2 Rh1'
_cell_volume   80.3
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.19  0.92  1.0
  Hg  Hg2  1  0.0  0.61  0.03  1.0
  Rh  Rh3  1  0.0  0.9  0.98  1.0

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