data_SiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt
_chemical_formula_sum   'Si2 Pt2'
_cell_volume   62.39
_cell_formula_units_Z   2
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  0.9  0.9  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.9  0.0  0.48  1.0
  Pt  Pt1  1  0.0  0.9  0.86  1.0

data_SiPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiPt
_chemical_formula_sum   'Si4 Pt4'
_cell_volume   124.79
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.45  0.45  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.86  1.0
  Pt  Pt2  2  0.4  0.5  0.48  1.0

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