data_NbSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.65
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbOs2
_chemical_formula_sum   'Nb1 Sb1 Os2'
_cell_volume   67.99
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.04  1.0
  Os  Os1  1  0.53  0.82  0.46  1.0
  Os  Os2  1  0.53  0.82  0.62  1.0

data_NbSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.65
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbOs2
_chemical_formula_sum   'Nb1 Sb1 Os2'
_cell_volume   67.99
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.04  1.0
  Os  Os2  1  0.53  0.82  0.46  1.0
  Os  Os3  1  0.53  0.82  0.62  1.0

Nb Sb Os Os
Nb Sb Os Os 0 1 o o o 2 3 o o o 