data_Nb2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbOs
_chemical_formula_sum   'Nb2 Sb1 Os1'
_cell_volume   72.52
_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  0.12  0.0  0.18  1.0
  Nb  Nb1  1  0.12  0.0  0.63  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.9  1.0

data_Nb2SbOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2SbOs
_chemical_formula_sum   'Nb2 Sb1 Os1'
_cell_volume   72.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.12  0.0  0.18  1.0
  Nb  Nb1  1  0.12  0.0  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.9  1.0

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