data_Si2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   125.55
_cell_angle_beta   125.55
_cell_angle_gamma   80.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuPb
_chemical_formula_sum   'Si2 Ru1 Pb1'
_cell_volume   69.99
_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  0.19  0.82  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.65  1.0
  Pb  Pb0  1  0.19  0.0  0.82  1.0

data_Si2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.79
_cell_angle_alpha   117.22
_cell_angle_beta   117.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuPb
_chemical_formula_sum   'Si2 Ru1 Pb1'
_cell_volume   69.99
_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
  Si  Si1  1  0.36  0.19  0.36  1.0
  Ru  Ru2  1  0.35  0.0  0.35  1.0
  Pb  Pb3  1  0.18  0.0  0.36  1.0

Si Si Ru Pb