data_Ba2InOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.7
_cell_angle_alpha   104.71
_cell_angle_beta   104.71
_cell_angle_gamma   56.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InOs
_chemical_formula_sum   'Ba2 In1 Os1'
_cell_volume   160.7
_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  0.79  0.0  0.32  1.0
  Ba  Ba1  1  0.75  0.0  0.08  1.0
  In  In2  1  0.05  0.0  0.21  1.0
  Os  Os3  1  0.32  0.0  0.2  1.0

data_Ba2InOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.81
_cell_length_c   8.7
_cell_angle_alpha   104.71
_cell_angle_beta   90.0
_cell_angle_gamma   118.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InOs
_chemical_formula_sum   'Ba2 In1 Os1'
_cell_volume   160.7
_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  0.21  0.68  1.0
  Ba  Ba1  1  0.0  0.25  0.92  1.0
  In  In2  1  0.0  0.95  0.79  1.0
  Os  Os3  1  0.0  0.68  0.8  1.0

Ba Ba In Os
Ba Ba In Os 0 1 o o o 0 2 + o o 1 2 + o o 2 3 o o o 