data_OsPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.13
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdPb2
_chemical_formula_sum   'Os1 Pd1 Pb2'
_cell_volume   82.72
_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  0.66  0.06  0.64  1.0
  Pd  Pd3  1  0.0  0.0  0.91  1.0
  Pb  Pb1  1  0.0  0.0  0.68  1.0
  Pb  Pb2  1  0.66  0.06  0.84  1.0

data_OsPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.13
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsPdPb2
_chemical_formula_sum   'Os1 Pd1 Pb2'
_cell_volume   82.72
_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
  Pd  Pd0  1  0.0  0.0  0.91  1.0
  Os  Os1  1  0.66  0.06  0.64  1.0
  Pb  Pb2  1  0.0  0.0  0.68  1.0
  Pb  Pb3  1  0.66  0.06  0.84  1.0

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