data_SiSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.14
_cell_angle_alpha   104.75
_cell_angle_beta   104.75
_cell_angle_gamma   40.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbOs2
_chemical_formula_sum   'Si1 Sb1 Os2'
_cell_volume   66.44
_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
  Si  Si3  1  0.15  0.0  0.49  1.0
  Sb  Sb2  1  0.49  0.0  0.65  1.0
  Os  Os0  1  0.01  0.0  0.6  1.0
  Os  Os1  1  0.1  0.0  0.67  1.0

data_SiSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.56
_cell_length_c   5.14
_cell_angle_alpha   104.75
_cell_angle_beta   90.0
_cell_angle_gamma   110.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbOs2
_chemical_formula_sum   'Si1 Sb1 Os2'
_cell_volume   66.44
_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
  Si  Si0  1  0.0  0.85  0.51  1.0
  Sb  Sb1  1  0.0  0.51  0.35  1.0
  Os  Os2  1  0.0  0.9  0.33  1.0
  Os  Os3  1  0.0  0.99  0.4  1.0

Si Sb Os Os
Si Sb Os Os 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 2 3 o o o 