data_NbBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.85
_cell_angle_alpha   120.35
_cell_angle_beta   120.35
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBOs2
_chemical_formula_sum   'Nb1 B1 Os2'
_cell_volume   53.55
_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
  Nb  Nb1  1  0.56  0.0  0.02  1.0
  B  B0  1  0.87  0.0  0.76  1.0
  Os  Os2  1  0.36  0.0  0.96  1.0
  Os  Os3  1  0.08  0.0  0.53  1.0

data_NbBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.7
_cell_length_c   4.75
_cell_angle_alpha   61.79
_cell_angle_beta   72.12
_cell_angle_gamma   71.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBOs2
_chemical_formula_sum   'Nb1 B1 Os2'
_cell_volume   53.55
_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
  Nb  Nb0  1  0.0  0.54  0.02  1.0
  B  B1  1  0.0  0.12  0.76  1.0
  Os  Os2  1  0.0  0.4  0.96  1.0
  Os  Os3  1  0.0  0.55  0.53  1.0

Nb B Os Os