data_SiB2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   3.59
_cell_angle_alpha   92.35
_cell_angle_beta   92.35
_cell_angle_gamma   39.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Os
_chemical_formula_sum   'Si1 B2 Os1'
_cell_volume   40.2
_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  0.81  0.0  0.71  1.0
  B  B0  1  0.52  0.0  0.2  1.0
  B  B1  1  0.19  0.0  0.59  1.0
  Os  Os2  1  1.0  0.0  0.88  1.0

data_SiB2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.59
_cell_length_c   4.2
_cell_angle_alpha   92.35
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiB2Os
_chemical_formula_sum   'Si1 B2 Os1'
_cell_volume   40.2
_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  0.71  0.81  1.0
  B  B1  1  0.0  0.2  0.52  1.0
  B  B2  1  0.0  0.59  0.19  1.0
  Os  Os3  1  0.0  0.88  1.0  1.0

Si B B Os