data_BaSbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   150.63
_cell_angle_beta   150.63
_cell_angle_gamma   42.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbOs
_chemical_formula_sum   'Ba1 Sb1 Os1'
_cell_volume   77.24
_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  0.64  1.0
  Sb  Sb2  1  0.0  0.0  0.07  1.0
  Os  Os1  1  0.0  0.0  0.88  1.0

data_BaSbOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   111.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSbOs
_chemical_formula_sum   'Ba2 Sb2 Os2'
_cell_volume   154.49
_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  0.36  1.0
  Sb  Sb1  2  0.0  0.0  0.93  1.0
  Os  Os2  2  0.0  0.0  0.12  1.0

Ba Sb Os
Ba Sb Os 0 2 o o o 1 2 o o - 