data_Tl3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.82
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl3 Os1'
_cell_volume   97.71
_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  Tl1  1  0.44  0.41  0.27  1.0
  Tl  Tl2  1  0.35  0.0  0.75  1.0
  Tl  Tl3  1  0.95  0.41  0.23  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Tl3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.82
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl3 Os1'
_cell_volume   97.71
_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  0.35  0.0  0.75  1.0
  Tl  Tl1  1  0.44  0.41  0.27  1.0
  Tl  Tl2  1  0.95  0.41  0.23  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Tl Tl Tl Os