data_Ba2SiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   143.52
_cell_angle_beta   131.26
_cell_angle_gamma   62.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiOs
_chemical_formula_sum   'Ba2 Si1 Os1'
_cell_volume   119.64
_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  0.0  0.67  0.24  1.0
  Ba  Ba1  1  0.0  0.0  0.01  1.0
  Si  Si3  1  0.0  0.0  0.5  1.0
  Os  Os2  1  0.0  0.67  0.84  1.0

data_Ba2SiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.34
_cell_length_c   6.47
_cell_angle_alpha   114.37
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiOs
_chemical_formula_sum   'Ba2 Si1 Os1'
_cell_volume   119.64
_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  0.0  0.01  0.01  1.0
  Ba  Ba1  1  0.33  0.57  0.57  1.0
  Si  Si2  1  0.0  0.5  0.5  1.0
  Os  Os3  1  0.33  0.17  0.17  1.0

Ba Ba Si Os
Ba Ba Si Os 0 2 o + o 1 3 o - - 