data_SnGeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   124.02
_cell_angle_beta   124.02
_cell_angle_gamma   83.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeRh2
_chemical_formula_sum   'Sn1 Ge1 Rh2'
_cell_volume   64.78
_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  Sn3  1  0.0  0.0  0.45  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.17  0.0  0.73  1.0
  Rh  Rh2  1  0.0  0.17  0.73  1.0

data_SnGeRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   131.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnGeRh2
_chemical_formula_sum   'Sn2 Ge2 Rh4'
_cell_volume   129.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.45  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  4  0.42  0.42  0.56  1.0

Sn Ge Rh Rh
Sn Ge Rh Rh 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o - 1 2 o o - 2 3 o o o 