data_SnMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   130.48
_cell_angle_beta   130.48
_cell_angle_gamma   72.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMoRh2
_chemical_formula_sum   'Sn1 Mo1 Rh2'
_cell_volume   63.88
_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  0.9  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.02  0.0  0.95  1.0
  Rh  Rh2  1  0.0  0.02  0.95  1.0

data_SnMoRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   126.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnMoRh2
_chemical_formula_sum   'Sn2 Mo2 Rh4'
_cell_volume   127.77
_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  0.1  0.0  0.1  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Rh  Rh2  4  0.06  0.01  0.08  1.0

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