data_InOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.97
_cell_angle_alpha   100.67
_cell_angle_beta   100.67
_cell_angle_gamma   35.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOs
_chemical_formula_sum   'In2 Os2'
_cell_volume   72.38
_cell_formula_units_Z   2
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
  In  In0  1  0.89  0.0  0.12  1.0
  In  In1  1  0.77  0.0  0.76  1.0
  Os  Os2  1  0.26  0.0  0.37  1.0
  Os  Os3  1  0.4  0.0  0.51  1.0

data_InOs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   4.97
_cell_length_c   5.06
_cell_angle_alpha   100.67
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InOs
_chemical_formula_sum   'In2 Os2'
_cell_volume   72.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  In  In0  2  0.0  0.32  0.44  1.0
  Os  Os1  2  0.0  0.07  0.07  1.0

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