data_Sn2PRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   6.68
_cell_angle_alpha   35.6
_cell_angle_beta   35.6
_cell_angle_gamma   35.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PRh
_chemical_formula_sum   'Sn2 P1 Rh1'
_cell_volume   90.42
_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  0.0  0.0  0.56  1.0
  Sn  Sn3  1  0.0  0.0  0.11  1.0
  P  P0  1  0.0  0.0  0.6  1.0
  Rh  Rh1  1  0.0  0.0  0.83  1.0

data_Sn2PRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.08
_cell_length_b   4.09
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   110.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2PRh
_chemical_formula_sum   'Sn4 P2 Rh2'
_cell_volume   180.84
_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  0.44  1.0
  Sn  Sn1  2  0.0  0.0  0.89  1.0
  P  P2  2  0.0  0.0  0.4  1.0
  Rh  Rh3  2  0.0  0.0  0.17  1.0

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