data_SnGePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   33.49
_cell_angle_beta   33.49
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGePt2
_chemical_formula_sum   'Sn1 Ge1 Pt2'
_cell_volume   77.31
_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  Sn3  1  0.0  0.0  0.31  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.88  1.0
  Pt  Pt2  1  0.0  0.0  0.75  1.0

data_SnGePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   3.79
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnGePt2
_chemical_formula_sum   'Sn2 Ge2 Pt4'
_cell_volume   154.62
_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
  Sn  Sn0  2  0.0  0.0  0.69  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.12  1.0
  Pt  Pt3  2  0.0  0.0  0.25  1.0

Sn Ge Pt Pt
Sn Ge Pt Pt 0 1 o o o 1 2 o o - 2 3 o o o 