data_SnOsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   18.36
_cell_angle_beta   18.36
_cell_angle_gamma   18.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnOsPt2
_chemical_formula_sum   'Sn1 Os1 Pt2'
_cell_volume   67.08
_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  0.0  1.0
  Os  Os0  1  0.0  0.0  0.54  1.0
  Pt  Pt1  1  0.0  0.0  0.4  1.0
  Pt  Pt2  1  0.0  0.0  0.67  1.0

data_SnOsPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnOsPt2
_chemical_formula_sum   'Sn2 Os2 Pt4'
_cell_volume   134.17
_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  0.0  1.0
  Os  Os1  2  0.0  0.0  0.46  1.0
  Pt  Pt2  2  0.0  0.0  0.33  1.0
  Pt  Pt3  2  0.0  0.0  0.6  1.0

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