data_VBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBOs2
_chemical_formula_sum   'V1 B1 Os2'
_cell_volume   50.04
_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
  V  V3  1  0.46  0.0  0.45  1.0
  B  B0  1  0.0  0.0  0.92  1.0
  Os  Os1  1  0.46  0.0  0.45  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0

data_VBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBOs2
_chemical_formula_sum   'V1 B1 Os2'
_cell_volume   50.04
_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
  V  V0  1  0.46  0.0  0.45  1.0
  B  B1  1  0.0  0.0  0.92  1.0
  Os  Os2  1  0.0  0.0  0.55  1.0
  Os  Os3  1  0.46  0.0  0.45  1.0

V B Os Os 0 2 o o o 0 3 + o o 0 3 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 2 3 + o o 2 3 o o o 