data_NbAlOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlOs2
_chemical_formula_sum   'Nb1 Al1 Os2'
_cell_volume   61.83
_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  Nb1  1  0.4  0.4  0.86  1.0
  Al  Al0  1  0.0  0.0  0.77  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0
  Os  Os3  1  0.4  0.4  0.93  1.0

data_NbAlOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAlOs2
_chemical_formula_sum   'Nb2 Al2 Os4'
_cell_volume   123.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.0  0.86  1.0
  Al  Al1  2  0.0  0.0  0.77  1.0
  Os  Os2  2  0.0  0.0  0.22  1.0
  Os  Os3  2  0.4  0.0  0.93  1.0

Nb Al Os Os
Nb Al Os Os 0 3 o o o 0 1 + o o 0 1 o + o 0 1 o o o 0 2 o o + 1 3 o o o 2 3 - - - 2 3 - o - 2 3 o - - 2 3 o o - 2 2 + o o 2 2 o + o 