data_InSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   144.48
_cell_angle_beta   123.43
_cell_angle_gamma   68.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Os
_chemical_formula_sum   'In1 Si2 Os1'
_cell_volume   65.36
_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  0.22  1.0
  Si  Si2  1  0.0  0.0  0.49  1.0
  Si  Si3  1  0.57  0.0  0.92  1.0
  Os  Os1  1  0.0  0.44  0.4  1.0

data_InSi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.88
_cell_length_c   5.15
_cell_angle_alpha   118.29
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2Os
_chemical_formula_sum   'In1 Si2 Os1'
_cell_volume   65.36
_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  0.22  0.22  1.0
  Si  Si1  1  0.0  0.49  0.49  1.0
  Si  Si2  1  0.0  0.92  0.35  1.0
  Os  Os3  1  0.56  0.96  0.96  1.0

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