data_Sn2HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   133.24
_cell_angle_beta   133.24
_cell_angle_gamma   68.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgRh
_chemical_formula_sum   'Sn2 Hg1 Rh1'
_cell_volume   84.94
_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  0.17  0.0  0.26  1.0
  Sn  Sn3  1  0.0  0.0  0.52  1.0
  Hg  Hg0  1  0.0  0.17  0.26  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   4.33
_cell_length_b   4.33
_cell_length_c   5.46
_cell_angle_alpha   113.38
_cell_angle_beta   113.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgRh
_chemical_formula_sum   'Sn2 Hg1 Rh1'
_cell_volume   84.94
_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  0.48  0.0  0.48  1.0
  Sn  Sn1  1  0.74  0.0  0.91  1.0
  Hg  Hg2  1  0.91  0.17  0.91  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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