data_Ba2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.64
_cell_length_b   13.64
_cell_length_c   13.64
_cell_angle_alpha   163.88
_cell_angle_beta   163.82
_cell_angle_gamma   22.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Os
_chemical_formula_sum   'Ba4 Os2'
_cell_volume   196.33
_cell_formula_units_Z   2
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  0.0  0.88  0.59  1.0
  Ba  Ba1  1  0.91  0.04  0.78  1.0
  Ba  Ba2  1  0.0  0.88  0.06  1.0
  Ba  Ba3  1  0.91  0.04  0.31  1.0
  Os  Os4  1  0.91  0.96  0.32  1.0
  Os  Os5  1  0.0  0.96  0.05  1.0

data_Ba2Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.83
_cell_length_b   3.84
_cell_length_c   13.64
_cell_angle_alpha   98.09
_cell_angle_beta   98.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba2Os
_chemical_formula_sum   'Ba4 Os2'
_cell_volume   196.33
_cell_formula_units_Z   2
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
  Ba  Ba0  2  0.08  0.48  0.44  1.0
  Ba  Ba1  2  0.08  0.96  0.91  1.0
  Os  Os2  2  0.0  0.87  0.82  1.0

Ba Ba Ba Ba Os Os