data_BaOsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   4.7
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsPb2
_chemical_formula_sum   'Ba1 Os1 Pb2'
_cell_volume   113.86
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.13  0.0  0.34  1.0
  Pb  Pb2  1  0.3  0.35  0.68  1.0
  Pb  Pb3  1  0.96  0.35  0.01  1.0

data_BaOsPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.7
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOsPb2
_chemical_formula_sum   'Ba1 Os1 Pb2'
_cell_volume   113.86
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.13  0.0  0.34  1.0
  Pb  Pb2  1  0.3  0.35  0.68  1.0
  Pb  Pb3  1  0.96  0.35  0.01  1.0

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