data_TlOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Cl
_chemical_formula_sum   'Tl1 Os2 Cl1'
_cell_volume   68.84
_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  0.0  0.0  0.51  1.0
  Os  Os1  1  0.45  0.0  0.12  1.0
  Os  Os2  1  0.45  0.0  0.9  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.01
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Cl
_chemical_formula_sum   'Tl1 Os2 Cl1'
_cell_volume   68.84
_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  0.0  0.0  0.51  1.0
  Os  Os1  1  0.0  0.45  0.12  1.0
  Os  Os2  1  0.0  0.45  0.9  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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