data_TiBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   137.57
_cell_angle_beta   137.57
_cell_angle_gamma   61.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBOs2
_chemical_formula_sum   'Ti1 B1 Os2'
_cell_volume   51.31
_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
  Ti  Ti3  1  0.0  0.75  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.75  0.0  0.08  1.0
  Os  Os2  1  0.0  0.0  0.17  1.0

data_TiBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   4.85
_cell_angle_alpha   111.22
_cell_angle_beta   111.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBOs2
_chemical_formula_sum   'Ti1 B1 Os2'
_cell_volume   51.31
_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
  Ti  Ti0  1  0.33  0.08  0.33  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.08  0.33  0.33  1.0
  Os  Os3  1  0.17  0.17  0.17  1.0

Ti B Os Os