data_SiBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.5
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   94.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiPt2
_chemical_formula_sum   'Si1 Bi1 Pt2'
_cell_volume   84.82
_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  0.83  0.0  0.67  1.0
  Bi  Bi0  1  0.61  0.25  0.9  1.0
  Pt  Pt1  1  1.0  0.0  0.26  1.0
  Pt  Pt2  1  0.61  0.25  0.66  1.0

data_SiBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.5
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   94.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiPt2
_chemical_formula_sum   'Si1 Bi1 Pt2'
_cell_volume   84.82
_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  0.83  0.0  0.67  1.0
  Bi  Bi1  1  0.61  0.25  0.9  1.0
  Pt  Pt2  1  0.61  0.25  0.66  1.0
  Pt  Pt3  1  1.0  0.0  0.26  1.0

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