data_SiOs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.93
_cell_angle_alpha   100.57
_cell_angle_beta   100.57
_cell_angle_gamma   38.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOs2Pb
_chemical_formula_sum   'Si1 Os2 Pb1'
_cell_volume   74.68
_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
  Si  Si3  1  0.98  0.0  0.49  1.0
  Os  Os0  1  0.39  0.0  0.52  1.0
  Os  Os1  1  0.5  0.0  0.68  1.0
  Pb  Pb2  1  0.79  0.0  0.04  1.0

data_SiOs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.53
_cell_length_c   5.93
_cell_angle_alpha   100.57
_cell_angle_beta   90.0
_cell_angle_gamma   109.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOs2Pb
_chemical_formula_sum   'Si1 Os2 Pb1'
_cell_volume   74.68
_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
  Si  Si0  1  0.0  0.02  0.51  1.0
  Os  Os1  1  0.0  0.5  0.32  1.0
  Os  Os2  1  0.0  0.61  0.48  1.0
  Pb  Pb3  1  0.0  0.21  0.96  1.0

Si Os Os Pb
Si Os Os Pb 0 1 + o o 0 3 o o o 1 2 o o o 2 3 o o + 