data_Tl2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.69
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2POs
_chemical_formula_sum   'Tl2 P1 Os1'
_cell_volume   92.32
_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  Tl2  1  0.75  0.85  0.51  1.0
  Tl  Tl3  1  0.99  0.0  0.39  1.0
  P  P1  1  0.34  0.0  0.36  1.0
  Os  Os0  1  0.37  0.85  0.12  1.0

data_Tl2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.69
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2POs
_chemical_formula_sum   'Tl2 P1 Os1'
_cell_volume   92.32
_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  0.75  0.85  0.51  1.0
  Tl  Tl1  1  0.99  0.0  0.39  1.0
  P  P2  1  0.34  0.0  0.36  1.0
  Os  Os3  1  0.37  0.85  0.12  1.0

Tl Tl P Os