data_SiRhPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   133.19
_cell_angle_beta   121.9
_cell_angle_gamma   77.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRhPb2
_chemical_formula_sum   'Si1 Rh1 Pb2'
_cell_volume   87.4
_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  Si3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.1  1.0
  Pb  Pb0  1  0.0  0.55  0.99  1.0
  Pb  Pb1  1  0.09  0.0  0.1  1.0

data_SiRhPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   5.11
_cell_length_c   5.26
_cell_angle_alpha   119.05
_cell_angle_beta   113.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRhPb2
_chemical_formula_sum   'Si1 Rh1 Pb2'
_cell_volume   87.4
_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  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.9  0.9  0.9  1.0
  Pb  Pb2  1  0.01  0.56  0.56  1.0
  Pb  Pb3  1  0.99  0.9  0.99  1.0

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