data_Sn2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   128.41
_cell_angle_beta   126.2
_cell_angle_gamma   77.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RuPt
_chemical_formula_sum   'Sn2 Ru1 Pt1'
_cell_volume   72.02
_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  0.22  0.91  1.0
  Sn  Sn3  1  0.13  0.0  0.91  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.81  1.0

data_Sn2RuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.43
_cell_length_c   4.9
_cell_angle_alpha   116.9
_cell_angle_beta   115.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2RuPt
_chemical_formula_sum   'Sn2 Ru1 Pt1'
_cell_volume   72.02
_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  Sn0  1  0.0  0.91  0.77  1.0
  Sn  Sn1  1  0.78  0.69  0.69  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.81  0.81  1.0

Sn Sn Ru Pt
Sn Sn Ru Pt 0 3 o o o 1 3 o o o 1 2 o o + 2 3 o o - 