data_NiBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   27.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBOs2
_chemical_formula_sum   'Ni1 B1 Os2'
_cell_volume   46.28
_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
  Ni  Ni1  1  0.41  0.0  0.06  1.0
  B  B0  1  0.0  0.0  0.77  1.0
  Os  Os2  1  0.0  0.0  0.02  1.0
  Os  Os3  1  0.41  0.0  0.51  1.0

data_NiBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.83
_cell_length_c   5.97
_cell_angle_alpha   103.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBOs2
_chemical_formula_sum   'Ni1 B1 Os2'
_cell_volume   46.28
_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
  Ni  Ni0  1  0.59  0.06  0.06  1.0
  B  B1  1  0.0  0.77  0.77  1.0
  Os  Os2  1  0.0  0.02  0.02  1.0
  Os  Os3  1  0.59  0.51  0.51  1.0

Ni B Os Os