data_BaTiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   18.64
_cell_angle_beta   18.64
_cell_angle_gamma   18.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiOs2
_chemical_formula_sum   'Ba1 Ti1 Os2'
_cell_volume   77.56
_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  0.06  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.5  1.0
  Os  Os2  1  0.0  0.0  0.62  1.0

data_BaTiOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTiOs2
_chemical_formula_sum   'Ba2 Ti2 Os4'
_cell_volume   155.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.94  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.0  0.0  0.38  1.0
  Os  Os3  2  0.0  0.0  0.5  1.0

Ba Ti Os Os
Ba Ti Os Os 0 1 o o o 2 3 o o o 