data_BaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   151.57
_cell_angle_beta   62.15
_cell_angle_gamma   126.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOs3
_chemical_formula_sum   'Ba1 Os3'
_cell_volume   76.94
_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  0.0  0.05  1.0
  Os  Os1  1  0.44  0.0  0.46  1.0
  Os  Os2  1  0.44  0.86  0.35  1.0
  Os  Os3  1  0.0  0.16  0.01  1.0

data_BaOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.32
_cell_length_c   5.86
_cell_angle_alpha   117.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaOs3
_chemical_formula_sum   'Ba1 Os3'
_cell_volume   76.94
_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  0.05  0.05  0.05  1.0
  Os  Os1  1  0.01  0.85  0.85  1.0
  Os  Os2  1  0.35  0.49  0.93  1.0
  Os  Os3  1  0.46  0.46  0.9  1.0

Ba Os Os Os