data_Sn2HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.83
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgRh
_chemical_formula_sum   'Sn2 Hg1 Rh1'
_cell_volume   85.44
_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
  Sn  Sn2  1  0.76  0.0  0.52  1.0
  Sn  Sn3  1  0.76  0.41  0.0  1.0
  Hg  Hg0  1  0.0  0.41  0.52  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Sn2HgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.83
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgRh
_chemical_formula_sum   'Sn2 Hg1 Rh1'
_cell_volume   85.44
_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
  Sn  Sn0  1  0.76  0.0  0.52  1.0
  Sn  Sn1  1  0.76  0.41  0.0  1.0
  Hg  Hg2  1  0.0  0.41  0.52  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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