data_NbBOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   148.62
_cell_angle_beta   148.62
_cell_angle_gamma   44.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBOs
_chemical_formula_sum   'Nb1 B1 Os1'
_cell_volume   38.27
_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  0.0  0.0  0.37  1.0
  B  B0  1  0.0  0.0  0.22  1.0
  Os  Os2  1  0.0  0.0  0.05  1.0

data_NbBOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   112.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBOs
_chemical_formula_sum   'Nb2 B2 Os2'
_cell_volume   76.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.63  1.0
  B  B1  2  0.0  0.0  0.78  1.0
  Os  Os2  2  0.0  0.0  0.95  1.0

Nb B Os
Nb B Os 0 1 o o o 1 2 o o o 