data_BaTiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   148.88
_cell_angle_beta   125.67
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiOs2
_chemical_formula_sum   'Ba1 Ti1 Os2'
_cell_volume   76.54
_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  0.83  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.53  0.0  0.12  1.0
  Os  Os2  1  0.0  0.6  0.71  1.0

data_BaTiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.2
_cell_length_c   5.69
_cell_angle_alpha   117.17
_cell_angle_beta   105.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiOs2
_chemical_formula_sum   'Ba1 Ti1 Os2'
_cell_volume   76.54
_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  0.83  0.83  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.12  0.59  1.0
  Os  Os3  1  0.4  0.11  0.11  1.0

Ba Ti Os Os