data_NaHfOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfOs2
_chemical_formula_sum   'Na1 Hf1 Os2'
_cell_volume   84.4
_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
  Na  Na1  1  0.0  0.0  0.12  1.0
  Hf  Hf0  1  0.42  0.92  0.27  1.0
  Os  Os2  1  0.42  0.92  0.64  1.0
  Os  Os3  1  0.0  0.0  0.62  1.0

data_NaHfOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.83
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfOs2
_chemical_formula_sum   'Na1 Hf1 Os2'
_cell_volume   84.4
_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
  Na  Na0  1  0.0  0.0  0.12  1.0
  Hf  Hf1  1  0.42  0.92  0.27  1.0
  Os  Os2  1  0.0  0.0  0.62  1.0
  Os  Os3  1  0.42  0.92  0.64  1.0

Na Hf Os Os
Na Hf Os Os 0 1 - - o 0 1 o - o 2 3 o + o 