data_TlOs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.58
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   92.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Pb
_chemical_formula_sum   'Tl1 Os2 Pb1'
_cell_volume   88.6
_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
  Tl  Tl3  1  0.2  0.0  0.79  1.0
  Os  Os0  1  0.83  0.79  0.52  1.0
  Os  Os1  1  0.37  0.0  0.65  1.0
  Pb  Pb2  1  0.91  0.79  0.77  1.0

data_TlOs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.58
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   92.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Pb
_chemical_formula_sum   'Tl1 Os2 Pb1'
_cell_volume   88.6
_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
  Tl  Tl0  1  0.2  0.0  0.79  1.0
  Os  Os1  1  0.37  0.0  0.65  1.0
  Os  Os2  1  0.83  0.79  0.52  1.0
  Pb  Pb3  1  0.91  0.79  0.77  1.0

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