data_Si2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   4.93
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   41.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuPt
_chemical_formula_sum   'Si2 Ru1 Pt1'
_cell_volume   55.86
_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  0.22  0.0  0.73  1.0
  Si  Si3  1  0.63  0.0  0.1  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.42  0.0  0.41  1.0

data_Si2RuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.2
_cell_length_c   4.93
_cell_angle_alpha   101.11
_cell_angle_beta   90.0
_cell_angle_gamma   110.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2RuPt
_chemical_formula_sum   'Si2 Ru1 Pt1'
_cell_volume   55.86
_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  0.37  0.9  1.0
  Si  Si1  1  0.0  0.78  0.27  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.58  0.59  1.0

Si Si Ru Pt
Si Si Ru Pt 0 2 o o + 0 3 o o o 1 3 o o o 1 2 + o o 