data_TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52
_cell_length_b   8.52
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   160.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs
_chemical_formula_sum   'Tl2 Os2'
_cell_volume   85.72
_cell_formula_units_Z   2
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  Tl2  1  0.43  0.56  0.68  1.0
  Tl  Tl3  1  0.43  0.44  0.89  1.0
  Os  Os0  1  0.43  0.22  0.68  1.0
  Os  Os1  1  0.43  0.78  0.89  1.0

data_TlOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.86
_cell_length_b   3.57
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlOs
_chemical_formula_sum   'Tl2 Os2'
_cell_volume   85.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.89  0.94  1.0
  Os  Os1  2  0.22  0.11  0.72  1.0

Tl Tl Os Os