data_Tl2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiOs
_chemical_formula_sum   'Tl2 Ni1 Os1'
_cell_volume   83.38
_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  0.0  0.0  0.28  1.0
  Tl  Tl3  1  0.76  0.0  0.67  1.0
  Ni  Ni0  1  0.0  0.0  0.43  1.0
  Os  Os1  1  0.76  0.0  0.71  1.0

data_Tl2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2NiOs
_chemical_formula_sum   'Tl2 Ni1 Os1'
_cell_volume   83.38
_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  0.28  1.0
  Tl  Tl1  1  0.76  0.0  0.67  1.0
  Ni  Ni2  1  0.0  0.0  0.43  1.0
  Os  Os3  1  0.76  0.0  0.71  1.0

Tl Tl Ni Os