data_NaBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.58
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiOs2
_chemical_formula_sum   'Na1 Bi1 Os2'
_cell_volume   87.06
_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  0.57  1.0
  Bi  Bi0  1  0.48  0.79  0.68  1.0
  Os  Os2  1  0.48  0.79  0.5  1.0
  Os  Os3  1  0.0  0.0  0.61  1.0

data_NaBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.58
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiOs2
_chemical_formula_sum   'Na1 Bi1 Os2'
_cell_volume   87.06
_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  0.57  1.0
  Bi  Bi1  1  0.48  0.79  0.68  1.0
  Os  Os2  1  0.0  0.0  0.61  1.0
  Os  Os3  1  0.48  0.79  0.5  1.0

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