data_Si2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   31.5
_cell_angle_beta   31.5
_cell_angle_gamma   31.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2GePt
_chemical_formula_sum   'Si2 Ge1 Pt1'
_cell_volume   68.21
_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  0.0  0.14  1.0
  Si  Si3  1  0.0  0.0  0.53  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.34  1.0

data_Si2GePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   3.56
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2GePt
_chemical_formula_sum   'Si4 Ge2 Pt2'
_cell_volume   136.43
_cell_formula_units_Z   2
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  2  0.0  0.0  0.86  1.0
  Si  Si1  2  0.0  0.0  0.47  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.66  1.0

Si Si Ge Pt