data_ScBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBOs2
_chemical_formula_sum   'Sc1 B1 Os2'
_cell_volume   55.2
_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
  Sc  Sc3  1  0.0  0.0  0.76  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.54  0.0  0.48  1.0
  Os  Os2  1  0.54  0.0  0.03  1.0

data_ScBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBOs2
_chemical_formula_sum   'Sc1 B1 Os2'
_cell_volume   55.2
_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
  Sc  Sc0  1  0.0  0.0  0.76  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.54  0.0  0.03  1.0
  Os  Os3  1  0.54  0.0  0.48  1.0

Sc B Os Os
Sc B Os Os 0 1 o o + 0 2 o o o 0 2 - o o 1 3 - o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 