data_NiBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   145.38
_cell_angle_beta   126.0
_cell_angle_gamma   65.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBOs2
_chemical_formula_sum   'Ni1 B1 Os2'
_cell_volume   47.5
_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  0.0  0.0  0.96  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.4  0.0  0.59  1.0
  Os  Os3  1  0.0  0.14  0.37  1.0

data_NiBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.28
_cell_length_c   4.71
_cell_angle_alpha   117.0
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBOs2
_chemical_formula_sum   'Ni1 B1 Os2'
_cell_volume   47.5
_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  0.04  0.04  0.04  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.63  0.77  0.77  1.0
  Os  Os3  1  0.82  0.41  0.82  1.0

Ni B Os Os