data_InSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnOs2
_chemical_formula_sum   'In1 Sn1 Os2'
_cell_volume   72.21
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.41  1.0
  Os  Os1  1  0.57  0.0  0.27  1.0
  Os  Os2  1  0.57  0.0  0.55  1.0

data_InSnOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.05
_cell_length_b   5.38
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSnOs2
_chemical_formula_sum   'In2 Sn2 Os4'
_cell_volume   144.48
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.41  1.0
  Os  Os2  2  0.07  0.5  0.27  1.0
  Os  Os3  2  0.07  0.5  0.55  1.0

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