data_OsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb2
_chemical_formula_sum   'Os1 Pb2'
_cell_volume   71.33
_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
  Pb  Pb1  1  0.65  0.53  0.47  1.0
  Pb  Pb2  1  0.0  0.06  0.47  1.0

data_OsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPb2
_chemical_formula_sum   'Os1 Pb2'
_cell_volume   71.33
_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
  Pb  Pb1  1  0.47  -0.0  0.06  1.0
  Pb  Pb2  1  0.47  0.65  0.53  1.0

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