data_Ba2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   100.56
_cell_angle_beta   100.56
_cell_angle_gamma   129.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Os
_chemical_formula_sum   'Ba4 Os2'
_cell_volume   194.04
_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  0.47  0.7  0.79  1.0
  Ba  Ba1  1  0.7  0.47  0.0  1.0
  Ba  Ba2  1  0.47  0.64  0.0  1.0
  Ba  Ba3  1  0.7  0.53  0.79  1.0
  Os  Os4  1  0.0  0.0  0.4  1.0
  Os  Os5  1  0.0  0.0  0.19  1.0

data_Ba2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.59
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   79.44
_cell_angle_beta   64.65
_cell_angle_gamma   64.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Os
_chemical_formula_sum   'Ba4 Os2'
_cell_volume   194.04
_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  0.47  -0.0  0.23  1.0
  Ba  Ba1  1  0.64  0.0  0.83  1.0
  Ba  Ba2  1  0.74  0.79  0.17  1.0
  Ba  Ba3  1  0.91  0.79  0.77  1.0
  Os  Os4  1  0.6  0.4  0.0  1.0
  Os  Os5  1  0.81  0.19  0.0  1.0

Ba Ba Ba Ba Os Os