data_OsPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.7
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPt2Pb
_chemical_formula_sum   'Os1 Pt2 Pb1'
_cell_volume   73.61
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.43  0.85  0.57  1.0
  Pt  Pt3  1  0.43  0.85  0.41  1.0
  Pb  Pb1  1  0.0  0.0  0.49  1.0

data_OsPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.7
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPt2Pb
_chemical_formula_sum   'Os1 Pt2 Pb1'
_cell_volume   73.61
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.43  0.85  0.41  1.0
  Pt  Pt2  1  0.43  0.85  0.57  1.0
  Pb  Pb3  1  0.0  0.0  0.49  1.0

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