data_Ba2NbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbOs
_chemical_formula_sum   'Ba2 Nb1 Os1'
_cell_volume   104.3
_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
  Ba  Ba0  1  0.49  0.28  0.61  1.0
  Ba  Ba1  1  0.49  0.72  0.61  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.99  0.0  0.0  1.0

data_Ba2NbOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.97
_cell_length_c   6.2
_cell_angle_alpha   118.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NbOs
_chemical_formula_sum   'Ba2 Nb1 Os1'
_cell_volume   104.3
_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
  Ba  Ba0  1  0.61  0.28  0.78  1.0
  Ba  Ba1  1  0.61  0.72  0.21  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.99  1.0

Ba Ba Nb Os