data_Si2PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.19
_cell_angle_alpha   153.89
_cell_angle_beta   145.31
_cell_angle_gamma   43.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PdRh
_chemical_formula_sum   'Si2 Pd1 Rh1'
_cell_volume   59.23
_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
  Si  Si2  1  0.0  0.85  0.27  1.0
  Si  Si3  1  0.0  0.0  0.4  1.0
  Pd  Pd0  1  0.0  0.85  0.58  1.0
  Rh  Rh1  1  0.0  0.0  0.98  1.0

data_Si2PdRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.69
_cell_length_c   6.19
_cell_angle_alpha   107.34
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PdRh
_chemical_formula_sum   'Si2 Pd1 Rh1'
_cell_volume   59.23
_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
  Si  Si0  1  0.6  0.6  0.6  1.0
  Si  Si1  1  0.73  0.58  0.58  1.0
  Pd  Pd2  1  0.42  0.27  0.27  1.0
  Rh  Rh3  1  0.02  0.02  0.02  1.0

Si Si Pd Rh
Si Si Pd Rh 0 1 o + o 0 2 o o o 1 2 o - o 2 3 o + o 