data_P2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.59
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsPb
_chemical_formula_sum   'P2 Os1 Pb1'
_cell_volume   97.63
_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
  P  P1  1  0.37  0.29  0.87  1.0
  P  P2  1  0.51  0.0  0.96  1.0
  Os  Os0  1  0.49  0.0  0.36  1.0
  Pb  Pb3  1  0.31  0.29  0.91  1.0

data_P2OsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.59
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsPb
_chemical_formula_sum   'P2 Os1 Pb1'
_cell_volume   97.63
_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
  P  P0  1  0.37  0.29  0.87  1.0
  P  P1  1  0.51  0.0  0.96  1.0
  Os  Os2  1  0.49  0.0  0.36  1.0
  Pb  Pb3  1  0.31  0.29  0.91  1.0

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