data_Nb2AlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   134.92
_cell_angle_beta   134.92
_cell_angle_gamma   65.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AlOs
_chemical_formula_sum   'Nb2 Al1 Os1'
_cell_volume   65.02
_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  0.95  0.0  0.14  1.0
  Nb  Nb2  1  0.0  0.95  0.14  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.27  1.0

data_Nb2AlOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   122.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2AlOs
_chemical_formula_sum   'Nb4 Al2 Os2'
_cell_volume   130.05
_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  4  0.02  0.02  0.19  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.27  1.0

Nb Nb Al Os